(2R)-2-methylsulfanyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide

C15H19N3OS — CID 95933671

IUPAC(2R)-2-methylsulfanyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide
SMILESCS[C@H](C)C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1
InChIInChI=1S/C15H19N3OS/c1-11(17-15(19)12(2)20-3)13-6-4-7-14(10-13)18-9-5-8-16-18/h4-12H,1-3H3,(H,17,19)/t11-,12+/m0/s1
InChIKeySRHGZNLWHQGSNN-NWDGAFQWSA-N
MW289.40 g/mol
LogP2.80
Rot. Bonds5

About (2R)-2-methylsulfanyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide

(2R)-2-methylsulfanyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide (PubChem CID 95933671) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is (2R)-2-methylsulfanyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-methylsulfanyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide
PubChem CID95933671
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name(2R)-2-methylsulfanyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide
SMILESCS[C@H](C)C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1
InChIInChI=1S/C15H19N3OS/c1-11(17-15(19)12(2)20-3)13-6-4-7-14(10-13)18-9-5-8-16-18/h4-12H,1-3H3,(H,17,19)/t11-,12+/m0/s1
InChIKeySRHGZNLWHQGSNN-NWDGAFQWSA-N
XLogP2.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 175743985
3-amino-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501001
(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 124877320
N-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine
CID 16640542
2,4-dimethyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]benzamide
CID 166217035
cis-(1R,2S)-2-[[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119060
4-pyrazol-1-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide
CID 120933172
3,3-dimethyl-5-oxo-5-[1-(3-pyrazol-1-ylphenyl)ethylamino]pentanoic acid
CID 119139749
1-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 95904281
N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide
CID 95906018
(2S,4S)-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide
CID 120633546
3-amino-N-[1-(3-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119788707

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylsulfanyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-methylsulfanyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide (CID 95933671) is (2R)-2-methylsulfanyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-methylsulfanyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-methylsulfanyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide is CS[C@H](C)C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1.
What is the InChIKey of (2R)-2-methylsulfanyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide?
The InChIKey is SRHGZNLWHQGSNN-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11(17-15(19)12(2)20-3)13-6-4-7-14(10-13)18-9-5-8-16-18/h4-12H,1-3H3,(H,17,19)/t11-,12+/m0/s1.
What are the key properties of (2R)-2-methylsulfanyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide?
(2R)-2-methylsulfanyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide has a molecular weight of 289.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylsulfanyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 95933671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).