1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide

C15H15ClN6O — CID 51100042

IUPAC1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide
SMILESCC(C)n1nccc1NC(=O)c1cn(-c2ccccc2Cl)nn1
InChIInChI=1S/C15H15ClN6O/c1-10(2)22-14(7-8-17-22)18-15(23)12-9-21(20-19-12)13-6-4-3-5-11(13)16/h3-10H,1-2H3,(H,18,23)
InChIKeyLLZZLQYJEZIMKQ-UHFFFAOYSA-N
MW330.78 g/mol
LogP2.95
Rot. Bonds4

About 1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide

1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide (PubChem CID 51100042) has the molecular formula C15H15ClN6O and a molecular weight of 330.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide
PubChem CID51100042
Molecular FormulaC15H15ClN6O
Molecular Weight330.78 g/mol
Exact Mass330.10
IUPAC Name1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide
SMILESCC(C)n1nccc1NC(=O)c1cn(-c2ccccc2Cl)nn1
InChIInChI=1S/C15H15ClN6O/c1-10(2)22-14(7-8-17-22)18-15(23)12-9-21(20-19-12)13-6-4-3-5-11(13)16/h3-10H,1-2H3,(H,18,23)
InChIKeyLLZZLQYJEZIMKQ-UHFFFAOYSA-N
XLogP2.95
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide (CID 51100042) is 1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide is CC(C)n1nccc1NC(=O)c1cn(-c2ccccc2Cl)nn1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide?
The InChIKey is LLZZLQYJEZIMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O/c1-10(2)22-14(7-8-17-22)18-15(23)12-9-21(20-19-12)13-6-4-3-5-11(13)16/h3-10H,1-2H3,(H,18,23).
What are the key properties of 1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide?
1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide has a molecular weight of 330.78 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide is sourced from PubChem (CID 51100042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).