4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide

C14H17N3O — CID 60769926

IUPAC4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide
SMILESO=C(CCCc1ccccc1)NCc1cn[nH]c1
InChIInChI=1S/C14H17N3O/c18-14(15-9-13-10-16-17-11-13)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,10-11H,4,7-9H2,(H,15,18)(H,16,17)
InChIKeyLGCZVMNQFWVNLL-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.05
Rot. Bonds6

About 4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide

4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide (PubChem CID 60769926) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide.

Molecular Properties

Compound Name4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide
PubChem CID60769926
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide
SMILESO=C(CCCc1ccccc1)NCc1cn[nH]c1
InChIInChI=1S/C14H17N3O/c18-14(15-9-13-10-16-17-11-13)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,10-11H,4,7-9H2,(H,15,18)(H,16,17)
InChIKeyLGCZVMNQFWVNLL-UHFFFAOYSA-N
XLogP2.05
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-pyrazol-4-ylmethyl)-3-pyridin-2-ylpropanamide
CID 78981080
4-amino-4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 55205488
3-[4-(dimethylamino)phenyl]-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60755620
N-[(1R,2S)-2-phenylcyclopropyl]-4-(1H-pyrazol-4-yl)butanamide
CID 74244776
2,2-dimethyl-N-[4-oxo-4-(1H-pyrazol-4-ylmethylamino)butyl]propanamide
CID 54897263
N-[2-(2-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide
CID 74250779
3-pyrazol-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 61004651
2-[2-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 54982506
2-(4-chlorophenyl)-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 60736185
6-(benzylamino)-6-oxohexanoic acid
CID 43529432
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-(1H-pyrazol-4-yl)propanamide
CID 137210262

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
The IUPAC name of 4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide (CID 60769926) is 4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide.
What is the SMILES notation for 4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
The canonical SMILES for 4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide is O=C(CCCc1ccccc1)NCc1cn[nH]c1.
What is the InChIKey of 4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
The InChIKey is LGCZVMNQFWVNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c18-14(15-9-13-10-16-17-11-13)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,10-11H,4,7-9H2,(H,15,18)(H,16,17).
What are the key properties of 4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide has a molecular weight of 243.31 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide is sourced from PubChem (CID 60769926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).