N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide

C20H17ClN6O — CID 9204418

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3cc(Cl)ccc3-n3cncn3)cc2)n1
InChIInChI=1S/C20H17ClN6O/c1-13-9-14(2)27(25-13)17-6-3-15(4-7-17)20(28)24-18-10-16(21)5-8-19(18)26-12-22-11-23-26/h3-12H,1-2H3,(H,24,28)
InChIKeyPZPSGPKWKFYSAZ-UHFFFAOYSA-N
MW392.85 g/mol
LogP3.98
Rot. Bonds4

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 9204418) has the molecular formula C20H17ClN6O and a molecular weight of 392.85 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID9204418
Molecular FormulaC20H17ClN6O
Molecular Weight392.85 g/mol
Exact Mass392.12
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3cc(Cl)ccc3-n3cncn3)cc2)n1
InChIInChI=1S/C20H17ClN6O/c1-13-9-14(2)27(25-13)17-6-3-15(4-7-17)20(28)24-18-10-16(21)5-8-19(18)26-12-22-11-23-26/h3-12H,1-2H3,(H,24,28)
InChIKeyPZPSGPKWKFYSAZ-UHFFFAOYSA-N
XLogP3.98
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-phenylbenzamide
CID 16549214
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 31527228
5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide
CID 18090214
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3,5-dinitrobenzamide
CID 55337238
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methylfuran-3-carboxamide
CID 78808953
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,5-dichloroanilino)acetamide
CID 37474179
N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244395
5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
CID 31527286
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide
CID 2354201
3,6-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]pyridine-2-carboxamide
CID 31402196
2-butyl-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 31527296

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide (CID 9204418) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(Cl)ccc3-n3cncn3)cc2)n1.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is PZPSGPKWKFYSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O/c1-13-9-14(2)27(25-13)17-6-3-15(4-7-17)20(28)24-18-10-16(21)5-8-19(18)26-12-22-11-23-26/h3-12H,1-2H3,(H,24,28).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 392.85 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 9204418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).