N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide

C12H9ClN6O — CID 56825423

IUPACN-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1n[nH]c(-c2ccc(Cl)cc2)n1)c1ccn[nH]1
InChIInChI=1S/C12H9ClN6O/c13-8-3-1-7(2-4-8)10-15-12(19-18-10)16-11(20)9-5-6-14-17-9/h1-6H,(H,14,17)(H2,15,16,18,19,20)
InChIKeyUXQJDIQBHVXXKR-UHFFFAOYSA-N
MW288.70 g/mol
LogP2.10
Rot. Bonds3

About N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide

N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 56825423) has the molecular formula C12H9ClN6O and a molecular weight of 288.70 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID56825423
Molecular FormulaC12H9ClN6O
Molecular Weight288.70 g/mol
Exact Mass288.05
IUPAC NameN-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1n[nH]c(-c2ccc(Cl)cc2)n1)c1ccn[nH]1
InChIInChI=1S/C12H9ClN6O/c13-8-3-1-7(2-4-8)10-15-12(19-18-10)16-11(20)9-5-6-14-17-9/h1-6H,(H,14,17)(H2,15,16,18,19,20)
InChIKeyUXQJDIQBHVXXKR-UHFFFAOYSA-N
XLogP2.10
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.70
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide (CID 56825423) is N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide is O=C(Nc1n[nH]c(-c2ccc(Cl)cc2)n1)c1ccn[nH]1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is UXQJDIQBHVXXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN6O/c13-8-3-1-7(2-4-8)10-15-12(19-18-10)16-11(20)9-5-6-14-17-9/h1-6H,(H,14,17)(H2,15,16,18,19,20).
What are the key properties of N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide?
N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 288.70 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 56825423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).