1-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-N-methylpyrazole-3-carboxamide

C18H16ClN3O2 — CID 164614982

IUPAC1-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(CO)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H16ClN3O2/c1-20-18(24)16-10-17(13-4-2-12(11-23)3-5-13)22(21-16)15-8-6-14(19)7-9-15/h2-10,23H,11H2,1H3,(H,20,24)
InChIKeyTYMSKTLFLLZNPS-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.04
Rot. Bonds4

About 1-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-N-methylpyrazole-3-carboxamide

1-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-N-methylpyrazole-3-carboxamide (PubChem CID 164614982) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-N-methylpyrazole-3-carboxamide
PubChem CID164614982
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name1-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(CO)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H16ClN3O2/c1-20-18(24)16-10-17(13-4-2-12(11-23)3-5-13)22(21-16)15-8-6-14(19)7-9-15/h2-10,23H,11H2,1H3,(H,20,24)
InChIKeyTYMSKTLFLLZNPS-UHFFFAOYSA-N
XLogP3.04
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-N-methylpyrazole-3-carboxamide (CID 164614982) is 1-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-N-methylpyrazole-3-carboxamide is CNC(=O)c1cc(-c2ccc(CO)cc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is TYMSKTLFLLZNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-20-18(24)16-10-17(13-4-2-12(11-23)3-5-13)22(21-16)15-8-6-14(19)7-9-15/h2-10,23H,11H2,1H3,(H,20,24).
What are the key properties of 1-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-N-methylpyrazole-3-carboxamide?
1-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 164614982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).