4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide

C14H17N3O2 — CID 104619750

IUPAC4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2ccc(CO)cc2)n[nH]1
InChIInChI=1S/C14H17N3O2/c1-2-3-12-8-13(17-16-12)15-14(19)11-6-4-10(9-18)5-7-11/h4-8,18H,2-3,9H2,1H3,(H2,15,16,17,19)
InChIKeyQFHYPSXFQQYSIP-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.11
Rot. Bonds5

About 4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide

4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide (PubChem CID 104619750) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide
PubChem CID104619750
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2ccc(CO)cc2)n[nH]1
InChIInChI=1S/C14H17N3O2/c1-2-3-12-8-13(17-16-12)15-14(19)11-6-4-10(9-18)5-7-11/h4-8,18H,2-3,9H2,1H3,(H2,15,16,17,19)
InChIKeyQFHYPSXFQQYSIP-UHFFFAOYSA-N
XLogP2.11
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-propan-2-yl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115619793
4-(imidazol-1-ylmethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 167828947
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(hydroxymethyl)benzamide
CID 104620011
4-(hydroxymethyl)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide
CID 66589783
4-fluoro-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115621244
2-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-4-carboxamide
CID 113257565
3-bromo-5-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104853008
3-methoxy-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115619852
4-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104783240
5-methyl-N-(5-propyl-1H-pyrazol-3-yl)furan-3-carboxamide
CID 114821897
2-(aminomethyl)-N-(5-propyl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 104618234
2-(4-methylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 112690378

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide (CID 104619750) is 4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide is CCCc1cc(NC(=O)c2ccc(CO)cc2)n[nH]1.
What is the InChIKey of 4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is QFHYPSXFQQYSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-3-12-8-13(17-16-12)15-14(19)11-6-4-10(9-18)5-7-11/h4-8,18H,2-3,9H2,1H3,(H2,15,16,17,19).
What are the key properties of 4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 259.31 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 104619750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).