N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C25H19F3N4O — CID 67184873

IUPACN-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(-c2[nH]ncc2-c2ccncc2)c1)C1(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C25H19F3N4O/c26-25(27,28)19-6-4-18(5-7-19)24(10-11-24)23(33)31-20-3-1-2-17(14-20)22-21(15-30-32-22)16-8-12-29-13-9-16/h1-9,12-15H,10-11H2,(H,30,32)(H,31,33)
InChIKeyRQZMIDKYRKYDMN-UHFFFAOYSA-N
MW448.45 g/mol
LogP5.83
Rot. Bonds5

About N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 67184873) has the molecular formula C25H19F3N4O and a molecular weight of 448.45 g/mol. Its IUPAC name is N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID67184873
Molecular FormulaC25H19F3N4O
Molecular Weight448.45 g/mol
Exact Mass448.15
IUPAC NameN-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(-c2[nH]ncc2-c2ccncc2)c1)C1(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C25H19F3N4O/c26-25(27,28)19-6-4-18(5-7-19)24(10-11-24)23(33)31-20-3-1-2-17(14-20)22-21(15-30-32-22)16-8-12-29-13-9-16/h1-9,12-15H,10-11H2,(H,30,32)(H,31,33)
InChIKeyRQZMIDKYRKYDMN-UHFFFAOYSA-N
XLogP5.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.45
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-pyridin-4-yl-1H-pyrazol-5-yl)aniline;1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 162621799
2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone
CID 58302703
1-(4-tert-butylphenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea
CID 44621736
1-methyl-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea
CID 67185993
1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 2526231
N-methyl-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]-4-(trifluoromethyl)benzamide
CID 69087224
2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 151220334
N-[4-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 67184113
4-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037203
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 113198749
N-(2-fluorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide
CID 58302741
N-(4-chlorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 67184873) is N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1cccc(-c2[nH]ncc2-c2ccncc2)c1)C1(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is RQZMIDKYRKYDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N4O/c26-25(27,28)19-6-4-18(5-7-19)24(10-11-24)23(33)31-20-3-1-2-17(14-20)22-21(15-30-32-22)16-8-12-29-13-9-16/h1-9,12-15H,10-11H2,(H,30,32)(H,31,33).
What are the key properties of N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 448.45 g/mol, XLogP of 5.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 67184873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).