(2S)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-2-phenylsulfanylpropanamide

C18H18N4OS — CID 99637742

IUPAC(2S)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-2-phenylsulfanylpropanamide
SMILESCc1ccnc(-n2nccc2NC(=O)[C@H](C)Sc2ccccc2)c1
InChIInChI=1S/C18H18N4OS/c1-13-8-10-19-17(12-13)22-16(9-11-20-22)21-18(23)14(2)24-15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,21,23)/t14-/m0/s1
InChIKeySRDNVSORXARXQV-AWEZNQCLSA-N
MW338.44 g/mol
LogP3.70
Rot. Bonds5

About (2S)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-2-phenylsulfanylpropanamide

(2S)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-2-phenylsulfanylpropanamide (PubChem CID 99637742) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is (2S)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-2-phenylsulfanylpropanamide
PubChem CID99637742
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name(2S)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-2-phenylsulfanylpropanamide
SMILESCc1ccnc(-n2nccc2NC(=O)[C@H](C)Sc2ccccc2)c1
InChIInChI=1S/C18H18N4OS/c1-13-8-10-19-17(12-13)22-16(9-11-20-22)21-18(23)14(2)24-15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,21,23)/t14-/m0/s1
InChIKeySRDNVSORXARXQV-AWEZNQCLSA-N
XLogP3.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-fluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 7553492
(2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide
CID 846798
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 9453544
N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylpropanamide
CID 23914590
(2R)-N-(3-methyl-2-pyridinyl)-2-phenylsulfanylpropanamide
CID 39951954
(2R)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 8633747
(2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-methylsulfanylpropanamide
CID 96539727
1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[(2S)-2-(1,3-thiazol-2-yl)propyl]urea
CID 99858547
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
2-phenylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
CID 46548668
(3S,4S)-1-[[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122090474
(2S)-N-(2-methoxy-5-methylphenyl)-2-phenylsulfanylpropanamide
CID 26733753

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-2-phenylsulfanylpropanamide?
The IUPAC name of (2S)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-2-phenylsulfanylpropanamide (CID 99637742) is (2S)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-2-phenylsulfanylpropanamide?
The canonical SMILES for (2S)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-2-phenylsulfanylpropanamide is Cc1ccnc(-n2nccc2NC(=O)[C@H](C)Sc2ccccc2)c1.
What is the InChIKey of (2S)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-2-phenylsulfanylpropanamide?
The InChIKey is SRDNVSORXARXQV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-13-8-10-19-17(12-13)22-16(9-11-20-22)21-18(23)14(2)24-15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,21,23)/t14-/m0/s1.
What are the key properties of (2S)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-2-phenylsulfanylpropanamide?
(2S)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-2-phenylsulfanylpropanamide has a molecular weight of 338.44 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-2-phenylsulfanylpropanamide is sourced from PubChem (CID 99637742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).