3-(1-methylpyrazol-4-yl)-N-[(1S)-1-phenylbutyl]propanamide

C17H23N3O — CID 94580103

IUPAC3-(1-methylpyrazol-4-yl)-N-[(1S)-1-phenylbutyl]propanamide
SMILESCCC[C@H](NC(=O)CCc1cnn(C)c1)c1ccccc1
InChIInChI=1S/C17H23N3O/c1-3-7-16(15-8-5-4-6-9-15)19-17(21)11-10-14-12-18-20(2)13-14/h4-6,8-9,12-13,16H,3,7,10-11H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeySJSROTKUAPQPJT-INIZCTEOSA-N
MW285.39 g/mol
LogP3.01
Rot. Bonds7

About 3-(1-methylpyrazol-4-yl)-N-[(1S)-1-phenylbutyl]propanamide

3-(1-methylpyrazol-4-yl)-N-[(1S)-1-phenylbutyl]propanamide (PubChem CID 94580103) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-[(1S)-1-phenylbutyl]propanamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-[(1S)-1-phenylbutyl]propanamide
PubChem CID94580103
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-(1-methylpyrazol-4-yl)-N-[(1S)-1-phenylbutyl]propanamide
SMILESCCC[C@H](NC(=O)CCc1cnn(C)c1)c1ccccc1
InChIInChI=1S/C17H23N3O/c1-3-7-16(15-8-5-4-6-9-15)19-17(21)11-10-14-12-18-20(2)13-14/h4-6,8-9,12-13,16H,3,7,10-11H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeySJSROTKUAPQPJT-INIZCTEOSA-N
XLogP3.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(1-methylpyrazol-4-yl)propanoylamino]-4-phenylbutanoic acid
CID 119201149
(2S,3S)-3-methyl-2-[3-(1-methylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 119194048
N-[bis(4-chlorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87026855
3-[4-(difluoromethoxy)phenyl]-N-(1-phenylbutyl)propanamide
CID 112814215
N-[2-(azepan-1-yl)-2-phenylethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 74231388
N-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 47298388
3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-carboxamide
CID 166195891
N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 125139659
2-methyl-2-[3-(1-methylpyrazol-4-yl)propanoylamino]butanoic acid
CID 119199294
4-(1,3-dioxoisoindol-2-yl)-N-(1-phenylbutyl)butanamide
CID 17477366
3-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpropanamide
CID 119951131
N-(1-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 24547864

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[(1S)-1-phenylbutyl]propanamide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[(1S)-1-phenylbutyl]propanamide (CID 94580103) is 3-(1-methylpyrazol-4-yl)-N-[(1S)-1-phenylbutyl]propanamide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-[(1S)-1-phenylbutyl]propanamide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-[(1S)-1-phenylbutyl]propanamide is CCC[C@H](NC(=O)CCc1cnn(C)c1)c1ccccc1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-[(1S)-1-phenylbutyl]propanamide?
The InChIKey is SJSROTKUAPQPJT-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-7-16(15-8-5-4-6-9-15)19-17(21)11-10-14-12-18-20(2)13-14/h4-6,8-9,12-13,16H,3,7,10-11H2,1-2H3,(H,19,21)/t16-/m0/s1.
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-[(1S)-1-phenylbutyl]propanamide?
3-(1-methylpyrazol-4-yl)-N-[(1S)-1-phenylbutyl]propanamide has a molecular weight of 285.39 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-[(1S)-1-phenylbutyl]propanamide is sourced from PubChem (CID 94580103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).