1-(4-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxamide

C11H10ClN3O2 — CID 141268275

IUPAC1-(4-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(Cl)cc2)cc1CO
InChIInChI=1S/C11H10ClN3O2/c12-8-1-3-9(4-2-8)15-5-7(6-16)10(14-15)11(13)17/h1-5,16H,6H2,(H2,13,17)
InChIKeyZEAWHHZCPHXIIQ-UHFFFAOYSA-N
MW251.67 g/mol
LogP1.12
Rot. Bonds3

About 1-(4-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxamide

1-(4-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxamide (PubChem CID 141268275) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxamide
PubChem CID141268275
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name1-(4-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(Cl)cc2)cc1CO
InChIInChI=1S/C11H10ClN3O2/c12-8-1-3-9(4-2-8)15-5-7(6-16)10(14-15)11(13)17/h1-5,16H,6H2,(H2,13,17)
InChIKeyZEAWHHZCPHXIIQ-UHFFFAOYSA-N
XLogP1.12
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxamide (CID 141268275) is 1-(4-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxamide is NC(=O)c1nn(-c2ccc(Cl)cc2)cc1CO.
What is the InChIKey of 1-(4-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxamide?
The InChIKey is ZEAWHHZCPHXIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c12-8-1-3-9(4-2-8)15-5-7(6-16)10(14-15)11(13)17/h1-5,16H,6H2,(H2,13,17).
What are the key properties of 1-(4-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxamide?
1-(4-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxamide has a molecular weight of 251.67 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 141268275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).