4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide

C15H19N3O — CID 39730494

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide
SMILESCc1cc(C)n(CCCC(=O)Nc2ccccc2)n1
InChIInChI=1S/C15H19N3O/c1-12-11-13(2)18(17-12)10-6-9-15(19)16-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,16,19)
InChIKeyNGHUYRPRKCBTJI-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.92
Rot. Bonds5

About 4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide

4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide (PubChem CID 39730494) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide
PubChem CID39730494
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide
SMILESCc1cc(C)n(CCCC(=O)Nc2ccccc2)n1
InChIInChI=1S/C15H19N3O/c1-12-11-13(2)18(17-12)10-6-9-15(19)16-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,16,19)
InChIKeyNGHUYRPRKCBTJI-UHFFFAOYSA-N
XLogP2.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)butanamide
CID 16782185
3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide
CID 15943466
4-(3,5-dimethylpyrazol-1-yl)-N-(1-ethyl-2-methylindol-5-yl)butanamide
CID 16673218
N-[4-(diethylamino)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553830
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
CID 19553824
N-(3-anilino-3-oxopropyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 131903962
N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553862
1-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-phenylguanidine
CID 114542427
N-(2-amino-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)butanamide
CID 16786978
4-(3,5-dimethylpyrazol-1-yl)-N-[(6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]butanamide
CID 46956350
3-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19553877
N-[5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-2-methoxyphenyl]benzamide
CID 46323299

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide (CID 39730494) is 4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide is Cc1cc(C)n(CCCC(=O)Nc2ccccc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide?
The InChIKey is NGHUYRPRKCBTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12-11-13(2)18(17-12)10-6-9-15(19)16-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,16,19).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide?
4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide has a molecular weight of 257.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide is sourced from PubChem (CID 39730494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).