4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-3-phenylbutyl]benzamide

C23H27N3O — CID 95869297

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-3-phenylbutyl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCC[C@H](C)c3ccccc3)cc2)n1
InChIInChI=1S/C23H27N3O/c1-17(21-7-5-4-6-8-21)13-14-24-23(27)22-11-9-20(10-12-22)16-26-19(3)15-18(2)25-26/h4-12,15,17H,13-14,16H2,1-3H3,(H,24,27)/t17-/m0/s1
InChIKeyJQGHUQAJQWOECV-KRWDZBQOSA-N
MW361.49 g/mol
LogP4.47
Rot. Bonds7

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-3-phenylbutyl]benzamide

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-3-phenylbutyl]benzamide (PubChem CID 95869297) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-3-phenylbutyl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-3-phenylbutyl]benzamide
PubChem CID95869297
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-3-phenylbutyl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCC[C@H](C)c3ccccc3)cc2)n1
InChIInChI=1S/C23H27N3O/c1-17(21-7-5-4-6-8-21)13-14-24-23(27)22-11-9-20(10-12-22)16-26-19(3)15-18(2)25-26/h4-12,15,17H,13-14,16H2,1-3H3,(H,24,27)/t17-/m0/s1
InChIKeyJQGHUQAJQWOECV-KRWDZBQOSA-N
XLogP4.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 100585501
N-(3-anilino-3-oxopropyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 131903962
4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-4-phenylbutanoic acid
CID 119201245
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 49014961
N-(3-phenylbutyl)benzamide
CID 62403316
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pentan-2-ylbenzamide
CID 48981331
2-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 100585086
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-prop-2-ynylbenzamide
CID 49015971
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3-methylphenyl)propyl]benzamide
CID 100585287
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]benzamide
CID 95876220
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(Z)-1-phenylpropylideneamino]benzamide
CID 6146042
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-hydroxy-2,2-dimethylpentyl)benzamide
CID 111480687

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-3-phenylbutyl]benzamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-3-phenylbutyl]benzamide (CID 95869297) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-3-phenylbutyl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-3-phenylbutyl]benzamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-3-phenylbutyl]benzamide is Cc1cc(C)n(Cc2ccc(C(=O)NCC[C@H](C)c3ccccc3)cc2)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-3-phenylbutyl]benzamide?
The InChIKey is JQGHUQAJQWOECV-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27N3O/c1-17(21-7-5-4-6-8-21)13-14-24-23(27)22-11-9-20(10-12-22)16-26-19(3)15-18(2)25-26/h4-12,15,17H,13-14,16H2,1-3H3,(H,24,27)/t17-/m0/s1.
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-3-phenylbutyl]benzamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-3-phenylbutyl]benzamide has a molecular weight of 361.49 g/mol, XLogP of 4.47, 7 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)methyl]-N-[(3S)-3-phenylbutyl]benzamide is sourced from PubChem (CID 95869297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).