N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide

C23H22N6O — CID 75450088

IUPACN-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1nnc(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)n1C1CC1
InChIInChI=1S/C23H22N6O/c1-16-25-26-21(29(16)19-12-13-19)14-24-23(30)20-15-28(18-10-6-3-7-11-18)27-22(20)17-8-4-2-5-9-17/h2-11,15,19H,12-14H2,1H3,(H,24,30)
InChIKeyATLJGJBBZPDJQE-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.70
Rot. Bonds6

About N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide

N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 75450088) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
PubChem CID75450088
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC NameN-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1nnc(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)n1C1CC1
InChIInChI=1S/C23H22N6O/c1-16-25-26-21(29(16)19-12-13-19)14-24-23(30)20-15-28(18-10-6-3-7-11-18)27-22(20)17-8-4-2-5-9-17/h2-11,15,19H,12-14H2,1H3,(H,24,30)
InChIKeyATLJGJBBZPDJQE-UHFFFAOYSA-N
XLogP3.70
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1340356
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
CID 87043447
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281272
N-[(2-methylpyrazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281316
N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide
CID 111429323
N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 42282105
N-[2-(dimethylamino)-3-methylbutyl]-1,3-diphenylpyrazole-4-carboxamide
CID 24650106
N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1356321
N-(1-hydroxypropan-2-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 78856855
1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 30604207
1-(4-methylphenyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 126775451
N'-[(3R)-3-methylpent-1-en-2-yl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2357068

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide (CID 75450088) is N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide is Cc1nnc(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)n1C1CC1.
What is the InChIKey of N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is ATLJGJBBZPDJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-16-25-26-21(29(16)19-12-13-19)14-24-23(30)20-15-28(18-10-6-3-7-11-18)27-22(20)17-8-4-2-5-9-17/h2-11,15,19H,12-14H2,1H3,(H,24,30).
What are the key properties of N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide?
N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 75450088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).