4-butyl-N-(1H-pyrazol-4-ylmethyl)benzamide

C15H19N3O — CID 60735788

IUPAC4-butyl-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCCCCc1ccc(C(=O)NCc2cn[nH]c2)cc1
InChIInChI=1S/C15H19N3O/c1-2-3-4-12-5-7-14(8-6-12)15(19)16-9-13-10-17-18-11-13/h5-8,10-11H,2-4,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyYQXLPYJLIHAFPR-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.68
Rot. Bonds6

About 4-butyl-N-(1H-pyrazol-4-ylmethyl)benzamide

4-butyl-N-(1H-pyrazol-4-ylmethyl)benzamide (PubChem CID 60735788) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-butyl-N-(1H-pyrazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-butyl-N-(1H-pyrazol-4-ylmethyl)benzamide
PubChem CID60735788
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-butyl-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCCCCc1ccc(C(=O)NCc2cn[nH]c2)cc1
InChIInChI=1S/C15H19N3O/c1-2-3-4-12-5-7-14(8-6-12)15(19)16-9-13-10-17-18-11-13/h5-8,10-11H,2-4,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyYQXLPYJLIHAFPR-UHFFFAOYSA-N
XLogP2.68
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736168
4-carbamothioyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 54982080
N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 60755457
N-[(4-butylphenyl)methyl]-1-methylpyridin-1-ium-4-carboxamide
CID 123663391
4-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 54982374
3-propoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60968015
2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736201
3-bromo-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60735936
3-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61139806
3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61138669
4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]phenyl]methyl]benzamide
CID 58145312
2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 62178514

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
The IUPAC name of 4-butyl-N-(1H-pyrazol-4-ylmethyl)benzamide (CID 60735788) is 4-butyl-N-(1H-pyrazol-4-ylmethyl)benzamide.
What is the SMILES notation for 4-butyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
The canonical SMILES for 4-butyl-N-(1H-pyrazol-4-ylmethyl)benzamide is CCCCc1ccc(C(=O)NCc2cn[nH]c2)cc1.
What is the InChIKey of 4-butyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
The InChIKey is YQXLPYJLIHAFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-3-4-12-5-7-14(8-6-12)15(19)16-9-13-10-17-18-11-13/h5-8,10-11H,2-4,9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 4-butyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
4-butyl-N-(1H-pyrazol-4-ylmethyl)benzamide has a molecular weight of 257.34 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(1H-pyrazol-4-ylmethyl)benzamide is sourced from PubChem (CID 60735788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).