5-(2-chlorophenyl)-N-[4-(triazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide

C18H13ClN6O — CID 167877999

IUPAC5-(2-chlorophenyl)-N-[4-(triazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(-n2ccnn2)cc1)c1cn[nH]c1-c1ccccc1Cl
InChIInChI=1S/C18H13ClN6O/c19-16-4-2-1-3-14(16)17-15(11-21-23-17)18(26)22-12-5-7-13(8-6-12)25-10-9-20-24-25/h1-11H,(H,21,23)(H,22,26)
InChIKeyMTCMFHVXKFDFIS-UHFFFAOYSA-N
MW364.80 g/mol
LogP3.56
Rot. Bonds4

About 5-(2-chlorophenyl)-N-[4-(triazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide

5-(2-chlorophenyl)-N-[4-(triazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 167877999) has the molecular formula C18H13ClN6O and a molecular weight of 364.80 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[4-(triazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[4-(triazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID167877999
Molecular FormulaC18H13ClN6O
Molecular Weight364.80 g/mol
Exact Mass364.08
IUPAC Name5-(2-chlorophenyl)-N-[4-(triazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(-n2ccnn2)cc1)c1cn[nH]c1-c1ccccc1Cl
InChIInChI=1S/C18H13ClN6O/c19-16-4-2-1-3-14(16)17-15(11-21-23-17)18(26)22-12-5-7-13(8-6-12)25-10-9-20-24-25/h1-11H,(H,21,23)(H,22,26)
InChIKeyMTCMFHVXKFDFIS-UHFFFAOYSA-N
XLogP3.56
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[4-(triazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[4-(triazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide (CID 167877999) is 5-(2-chlorophenyl)-N-[4-(triazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[4-(triazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[4-(triazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide is O=C(Nc1ccc(-n2ccnn2)cc1)c1cn[nH]c1-c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-N-[4-(triazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is MTCMFHVXKFDFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN6O/c19-16-4-2-1-3-14(16)17-15(11-21-23-17)18(26)22-12-5-7-13(8-6-12)25-10-9-20-24-25/h1-11H,(H,21,23)(H,22,26).
What are the key properties of 5-(2-chlorophenyl)-N-[4-(triazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide?
5-(2-chlorophenyl)-N-[4-(triazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 364.80 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[4-(triazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 167877999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).