(3S)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-5-phenylpentanamide

C19H27N3O — CID 94800927

IUPAC(3S)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-5-phenylpentanamide
SMILESCc1c([C@H](C)NC(=O)C[C@@H](C)CCc2ccccc2)cnn1C
InChIInChI=1S/C19H27N3O/c1-14(10-11-17-8-6-5-7-9-17)12-19(23)21-15(2)18-13-20-22(4)16(18)3/h5-9,13-15H,10-12H2,1-4H3,(H,21,23)/t14-,15-/m0/s1
InChIKeySTGGLMJSJVYHFF-GJZGRUSLSA-N
MW313.44 g/mol
LogP3.56
Rot. Bonds7

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

(3S)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-5-phenylpentanamide (PubChem CID 94800927) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is (3S)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-5-phenylpentanamide.

Molecular Properties

Compound Name(3S)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-5-phenylpentanamide
PubChem CID94800927
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name(3S)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-5-phenylpentanamide
SMILESCc1c([C@H](C)NC(=O)C[C@@H](C)CCc2ccccc2)cnn1C
InChIInChI=1S/C19H27N3O/c1-14(10-11-17-8-6-5-7-9-17)12-19(23)21-15(2)18-13-20-22(4)16(18)3/h5-9,13-15H,10-12H2,1-4H3,(H,21,23)/t14-,15-/m0/s1
InChIKeySTGGLMJSJVYHFF-GJZGRUSLSA-N
XLogP3.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-5-phenylpentanamide
CID 94800929
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-phenylbutan-2-amine
CID 43751945
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 1247509
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2-nitrophenyl)acetamide
CID 2225443
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119293154
(2S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenoxypropanamide
CID 29183103
N-benzyl-1-[2-[[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 92635934
4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 43696294
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
CID 19469013
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 51077850
2-(benzotriazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
CID 19468957
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 19468867

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-5-phenylpentanamide?
The IUPAC name of (3S)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-5-phenylpentanamide (CID 94800927) is (3S)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-5-phenylpentanamide.
What is the SMILES notation for (3S)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-5-phenylpentanamide?
The canonical SMILES for (3S)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-5-phenylpentanamide is Cc1c([C@H](C)NC(=O)C[C@@H](C)CCc2ccccc2)cnn1C.
What is the InChIKey of (3S)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-5-phenylpentanamide?
The InChIKey is STGGLMJSJVYHFF-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H27N3O/c1-14(10-11-17-8-6-5-7-9-17)12-19(23)21-15(2)18-13-20-22(4)16(18)3/h5-9,13-15H,10-12H2,1-4H3,(H,21,23)/t14-,15-/m0/s1.
What are the key properties of (3S)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-5-phenylpentanamide?
(3S)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-5-phenylpentanamide has a molecular weight of 313.44 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-5-phenylpentanamide is sourced from PubChem (CID 94800927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).