N-[[5-(2-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[4-[4-(oxan-4-yl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine

C81H108ClF6N15O4 — CID 159935363

IUPACN-[[5-(2-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[4-[4-(oxan-4-yl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine
SMILESCCCN(C)Cc1[nH]ncc1-c1ccc(C2CCOCC2)cc1.CCCN(C)Cc1[nH]ncc1-c1ccc(OC(C)C)c(F)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)c(F)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(F)c(OC)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(OC)cc1Cl
InChIInChI=1S/C19H27N3O.C17H24FN3O.C15H20ClN3O.C15H17F4N3.C15H20FN3O/c1-3-10-22(2)14-19-18(13-20-21-19)17-6-4-15(5-7-17)16-8-11-23-12-9-16;1-5-8-21(4)11-16-14(10-19-20-16)13-6-7-17(15(18)9-13)22-12(2)3;1-4-7-19(2)10-11-9-17-18-15(11)13-6-5-12(20-3)8-14(13)16;1-3-6-22(2)9-11-8-20-21-14(11)10-4-5-12(13(16)7-10)15(17,18)19;1-4-7-19(2)10-12-9-17-18-15(12)11-5-6-13(16)14(8-11)20-3/h4-7,13,16H,3,8-12,14H2,1-2H3,(H,20,21);6-7,9-10,12H,5,8,11H2,1-4H3,(H,19,20);5-6,8-9H,4,7,10H2,1-3H3,(H,17,18);4-5,7-8H,3,6,9H2,1-2H3,(H,20,21);5-6,8-9H,4,7,10H2,1-3H3,(H,17,18)
InChIKeyOAEHEFRIDHYQIO-UHFFFAOYSA-N
MW1505.30 g/mol
LogP18.38
Rot. Bonds30

About N-[[5-(2-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[4-[4-(oxan-4-yl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine

N-[[5-(2-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[4-[4-(oxan-4-yl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine (PubChem CID 159935363) has the molecular formula C81H108ClF6N15O4 and a molecular weight of 1505.30 g/mol. Its IUPAC name is N-[[5-(2-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[4-[4-(oxan-4-yl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[4-[4-(oxan-4-yl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine
PubChem CID159935363
Molecular FormulaC81H108ClF6N15O4
Molecular Weight1505.30 g/mol
Exact Mass1503.83
IUPAC NameN-[[5-(2-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[4-[4-(oxan-4-yl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine
SMILESCCCN(C)Cc1[nH]ncc1-c1ccc(C2CCOCC2)cc1.CCCN(C)Cc1[nH]ncc1-c1ccc(OC(C)C)c(F)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)c(F)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(F)c(OC)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(OC)cc1Cl
InChIInChI=1S/C19H27N3O.C17H24FN3O.C15H20ClN3O.C15H17F4N3.C15H20FN3O/c1-3-10-22(2)14-19-18(13-20-21-19)17-6-4-15(5-7-17)16-8-11-23-12-9-16;1-5-8-21(4)11-16-14(10-19-20-16)13-6-7-17(15(18)9-13)22-12(2)3;1-4-7-19(2)10-11-9-17-18-15(11)13-6-5-12(20-3)8-14(13)16;1-3-6-22(2)9-11-8-20-21-14(11)10-4-5-12(13(16)7-10)15(17,18)19;1-4-7-19(2)10-12-9-17-18-15(12)11-5-6-13(16)14(8-11)20-3/h4-7,13,16H,3,8-12,14H2,1-2H3,(H,20,21);6-7,9-10,12H,5,8,11H2,1-4H3,(H,19,20);5-6,8-9H,4,7,10H2,1-3H3,(H,17,18);4-5,7-8H,3,6,9H2,1-2H3,(H,20,21);5-6,8-9H,4,7,10H2,1-3H3,(H,17,18)
InChIKeyOAEHEFRIDHYQIO-UHFFFAOYSA-N
XLogP18.38
TPSA196.52 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds30
Heavy Atoms107
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001505.30
LogP ≤ 518.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze N-[[5-(2-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[4-[4-(oxan-4-yl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[4-[4-(oxan-4-yl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[4-[4-(oxan-4-yl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine (CID 159935363) is N-[[5-(2-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[4-[4-(oxan-4-yl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[4-[4-(oxan-4-yl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[4-[4-(oxan-4-yl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine is CCCN(C)Cc1[nH]ncc1-c1ccc(C2CCOCC2)cc1.CCCN(C)Cc1[nH]ncc1-c1ccc(OC(C)C)c(F)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)c(F)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(F)c(OC)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(OC)cc1Cl.
What is the InChIKey of N-[[5-(2-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[4-[4-(oxan-4-yl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine?
The InChIKey is OAEHEFRIDHYQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O.C17H24FN3O.C15H20ClN3O.C15H17F4N3.C15H20FN3O/c1-3-10-22(2)14-19-18(13-20-21-19)17-6-4-15(5-7-17)16-8-11-23-12-9-16;1-5-8-21(4)11-16-14(10-19-20-16)13-6-7-17(15(18)9-13)22-12(2)3;1-4-7-19(2)10-11-9-17-18-15(11)13-6-5-12(20-3)8-14(13)16;1-3-6-22(2)9-11-8-20-21-14(11)10-4-5-12(13(16)7-10)15(17,18)19;1-4-7-19(2)10-12-9-17-18-15(12)11-5-6-13(16)14(8-11)20-3/h4-7,13,16H,3,8-12,14H2,1-2H3,(H,20,21);6-7,9-10,12H,5,8,11H2,1-4H3,(H,19,20);5-6,8-9H,4,7,10H2,1-3H3,(H,17,18);4-5,7-8H,3,6,9H2,1-2H3,(H,20,21);5-6,8-9H,4,7,10H2,1-3H3,(H,17,18).
What are the key properties of N-[[5-(2-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[4-[4-(oxan-4-yl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine?
N-[[5-(2-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[4-[4-(oxan-4-yl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine has a molecular weight of 1505.30 g/mol, XLogP of 18.38, 30 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[4-[4-(oxan-4-yl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 159935363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).