N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C78H94Cl4F14N16O4 — CID 157083210

IUPACN-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCCCN(CC)CCN(Cc1ccccc1Cl)C(=O)c1cc(C(F)(F)F)[nH]n1.CCN(CCN(Cc1ccccc1Cl)C(=O)c1cc(C(F)(F)F)[nH]n1)C(C)C.Cc1ccc(CN(CCN2CCCCCC2)C(=O)c2cc(C(F)(F)F)[nH]n2)c(Cl)c1.O=C(c1cc(C(F)(F)F)[nH]n1)N(CCN1CCC(F)(F)CC1)Cc1ccccc1Cl
InChIInChI=1S/C21H26ClF3N4O.C19H20ClF5N4O.2C19H24ClF3N4O/c1-15-6-7-16(17(22)12-15)14-29(11-10-28-8-4-2-3-5-9-28)20(30)18-13-19(27-26-18)21(23,24)25;20-14-4-2-1-3-13(14)12-29(10-9-28-7-5-18(21,22)6-8-28)17(30)15-11-16(27-26-15)19(23,24)25;1-4-26(13(2)3)9-10-27(12-14-7-5-6-8-15(14)20)18(28)16-11-17(25-24-16)19(21,22)23;1-3-9-26(4-2)10-11-27(13-14-7-5-6-8-15(14)20)18(28)16-12-17(25-24-16)19(21,22)23/h6-7,12-13H,2-5,8-11,14H2,1H3,(H,26,27);1-4,11H,5-10,12H2,(H,26,27);5-8,11,13H,4,9-10,12H2,1-3H3,(H,24,25);5-8,12H,3-4,9-11,13H2,1-2H3,(H,24,25)
InChIKeyADUFUGSVIKBOHD-UHFFFAOYSA-N
MW1727.50 g/mol
LogP18.27
Rot. Bonds29

About N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 157083210) has the molecular formula C78H94Cl4F14N16O4 and a molecular weight of 1727.50 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID157083210
Molecular FormulaC78H94Cl4F14N16O4
Molecular Weight1727.50 g/mol
Exact Mass1724.62
IUPAC NameN-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCCCN(CC)CCN(Cc1ccccc1Cl)C(=O)c1cc(C(F)(F)F)[nH]n1.CCN(CCN(Cc1ccccc1Cl)C(=O)c1cc(C(F)(F)F)[nH]n1)C(C)C.Cc1ccc(CN(CCN2CCCCCC2)C(=O)c2cc(C(F)(F)F)[nH]n2)c(Cl)c1.O=C(c1cc(C(F)(F)F)[nH]n1)N(CCN1CCC(F)(F)CC1)Cc1ccccc1Cl
InChIInChI=1S/C21H26ClF3N4O.C19H20ClF5N4O.2C19H24ClF3N4O/c1-15-6-7-16(17(22)12-15)14-29(11-10-28-8-4-2-3-5-9-28)20(30)18-13-19(27-26-18)21(23,24)25;20-14-4-2-1-3-13(14)12-29(10-9-28-7-5-18(21,22)6-8-28)17(30)15-11-16(27-26-15)19(23,24)25;1-4-26(13(2)3)9-10-27(12-14-7-5-6-8-15(14)20)18(28)16-11-17(25-24-16)19(21,22)23;1-3-9-26(4-2)10-11-27(13-14-7-5-6-8-15(14)20)18(28)16-12-17(25-24-16)19(21,22)23/h6-7,12-13H,2-5,8-11,14H2,1H3,(H,26,27);1-4,11H,5-10,12H2,(H,26,27);5-8,11,13H,4,9-10,12H2,1-3H3,(H,24,25);5-8,12H,3-4,9-11,13H2,1-2H3,(H,24,25)
InChIKeyADUFUGSVIKBOHD-UHFFFAOYSA-N
XLogP18.27
TPSA208.92 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds29
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001727.50
LogP ≤ 518.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-5-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 118552891
N-[[2-chloro-5-(methylamino)phenyl]methyl]-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 130312926
N-[(2-fluorophenyl)methyl]-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 90120738
N-[(2-amino-6-chlorophenyl)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 90120827
N-[(2-amino-6-chlorophenyl)methyl]-N-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 90120808
N-[(2-chlorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 90120785
N-benzyl-N-pentyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 90120721
N-[2-(diethylamino)ethyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 123757607
N-[(2-fluorophenyl)methyl]-N-[2-(1-methylsulfinylpiperidin-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 130313304
tert-butyl 4-[[cyclobutylmethyl-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]methyl]-2,3-dihydroindole-1-carboxylate
CID 90102344
N-[(5-amino-2-chlorophenyl)methyl]-N-[2-(azepan-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 142559789
[(2-chlorophenyl)methyl-[2-(4-methylpiperidin-1-yl)ethyl]amino]-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
CID 130313171

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 157083210) is N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is CCCN(CC)CCN(Cc1ccccc1Cl)C(=O)c1cc(C(F)(F)F)[nH]n1.CCN(CCN(Cc1ccccc1Cl)C(=O)c1cc(C(F)(F)F)[nH]n1)C(C)C.Cc1ccc(CN(CCN2CCCCCC2)C(=O)c2cc(C(F)(F)F)[nH]n2)c(Cl)c1.O=C(c1cc(C(F)(F)F)[nH]n1)N(CCN1CCC(F)(F)CC1)Cc1ccccc1Cl.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is ADUFUGSVIKBOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClF3N4O.C19H20ClF5N4O.2C19H24ClF3N4O/c1-15-6-7-16(17(22)12-15)14-29(11-10-28-8-4-2-3-5-9-28)20(30)18-13-19(27-26-18)21(23,24)25;20-14-4-2-1-3-13(14)12-29(10-9-28-7-5-18(21,22)6-8-28)17(30)15-11-16(27-26-15)19(23,24)25;1-4-26(13(2)3)9-10-27(12-14-7-5-6-8-15(14)20)18(28)16-11-17(25-24-16)19(21,22)23;1-3-9-26(4-2)10-11-27(13-14-7-5-6-8-15(14)20)18(28)16-12-17(25-24-16)19(21,22)23/h6-7,12-13H,2-5,8-11,14H2,1H3,(H,26,27);1-4,11H,5-10,12H2,(H,26,27);5-8,11,13H,4,9-10,12H2,1-3H3,(H,24,25);5-8,12H,3-4,9-11,13H2,1-2H3,(H,24,25).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 1727.50 g/mol, XLogP of 18.27, 29 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 157083210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).