3-methyl-4-phenyl-4-(1H-pyrazol-4-yl)butanamide

C14H17N3O — CID 90178209

IUPAC3-methyl-4-phenyl-4-(1H-pyrazol-4-yl)butanamide
SMILESCC(CC(N)=O)C(c1ccccc1)c1cn[nH]c1
InChIInChI=1S/C14H17N3O/c1-10(7-13(15)18)14(12-8-16-17-9-12)11-5-3-2-4-6-11/h2-6,8-10,14H,7H2,1H3,(H2,15,18)(H,16,17)
InChIKeyLCIONQZCIYKZKT-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.05
Rot. Bonds5

About 3-methyl-4-phenyl-4-(1H-pyrazol-4-yl)butanamide

3-methyl-4-phenyl-4-(1H-pyrazol-4-yl)butanamide (PubChem CID 90178209) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-methyl-4-phenyl-4-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound Name3-methyl-4-phenyl-4-(1H-pyrazol-4-yl)butanamide
PubChem CID90178209
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-methyl-4-phenyl-4-(1H-pyrazol-4-yl)butanamide
SMILESCC(CC(N)=O)C(c1ccccc1)c1cn[nH]c1
InChIInChI=1S/C14H17N3O/c1-10(7-13(15)18)14(12-8-16-17-9-12)11-5-3-2-4-6-11/h2-6,8-10,14H,7H2,1H3,(H2,15,18)(H,16,17)
InChIKeyLCIONQZCIYKZKT-UHFFFAOYSA-N
XLogP2.05
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

3-(1H-pyrazol-4-yl)butanoic acid
CID 82595364
3-phenyl-2-(1H-pyrazol-4-yl)propanamide
CID 91102712
N'-[1-(1H-pyrazol-4-yl)ethyl]benzenecarboximidamide
CID 106218322
4-methyl-3-phenylpentanamide
CID 66616845
4,4-dimethyl-3-(1H-pyrazol-4-yl)pentanoic acid
CID 83879906
(2S)-2-amino-3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212809
2-benzylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856658
2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106212825
1-phenyl-2-[1-(1H-pyrazol-4-yl)ethyl]guanidine
CID 114159092
benzyl (3S)-5-amino-5-oxo-3-phenylpentanoate
CID 2250347
3-methyl-3-phenyl-N,N'-bis[1-(1H-pyrazol-4-yl)ethyl]pentanediamide
CID 166185847
3-methyl-2-phenyl-N-(1H-pyrazol-4-ylmethyl)pentanamide
CID 60999920

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenyl-4-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of 3-methyl-4-phenyl-4-(1H-pyrazol-4-yl)butanamide (CID 90178209) is 3-methyl-4-phenyl-4-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for 3-methyl-4-phenyl-4-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for 3-methyl-4-phenyl-4-(1H-pyrazol-4-yl)butanamide is CC(CC(N)=O)C(c1ccccc1)c1cn[nH]c1.
What is the InChIKey of 3-methyl-4-phenyl-4-(1H-pyrazol-4-yl)butanamide?
The InChIKey is LCIONQZCIYKZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(7-13(15)18)14(12-8-16-17-9-12)11-5-3-2-4-6-11/h2-6,8-10,14H,7H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of 3-methyl-4-phenyl-4-(1H-pyrazol-4-yl)butanamide?
3-methyl-4-phenyl-4-(1H-pyrazol-4-yl)butanamide has a molecular weight of 243.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenyl-4-(1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 90178209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).