(2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide

C20H21N5O2S — CID 72935452

IUPAC(2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
SMILESCc1nc(CC(=O)N2CCC[C@H]2C(=O)Nc2cccc(-n3cccn3)c2)cs1
InChIInChI=1S/C20H21N5O2S/c1-14-22-16(13-28-14)12-19(26)24-9-3-7-18(24)20(27)23-15-5-2-6-17(11-15)25-10-4-8-21-25/h2,4-6,8,10-11,13,18H,3,7,9,12H2,1H3,(H,23,27)/t18-/m0/s1
InChIKeySNEZAKBKHWPWAB-SFHVURJKSA-N
MW395.49 g/mol
LogP2.81
Rot. Bonds5

About (2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide

(2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide (PubChem CID 72935452) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is (2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
PubChem CID72935452
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name(2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
SMILESCc1nc(CC(=O)N2CCC[C@H]2C(=O)Nc2cccc(-n3cccn3)c2)cs1
InChIInChI=1S/C20H21N5O2S/c1-14-22-16(13-28-14)12-19(26)24-9-3-7-18(24)20(27)23-15-5-2-6-17(11-15)25-10-4-8-21-25/h2,4-6,8,10-11,13,18H,3,7,9,12H2,1H3,(H,23,27)/t18-/m0/s1
InChIKeySNEZAKBKHWPWAB-SFHVURJKSA-N
XLogP2.81
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(1-methylpyrrol-3-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 45215654
(2R)-N-(3-pyrazol-1-ylphenyl)-1-[3-(1H-pyrazol-4-yl)propanoyl]pyrrolidine-2-carboxamide
CID 26390979
N-cyclopropyl-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide
CID 47164618
(2R)-1-N-prop-2-enyl-2-N-(3-pyrazol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide
CID 42595070
(2S)-1-(2,2-dimethylpropyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 25366994
(2S)-1-(2-fluorobenzoyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 42194479
1-(3-methylbut-2-enyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 45216712
(2S)-1-(4-methylphenyl)sulfonyl-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 55940289
(2R)-1-(1H-imidazol-2-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 51657479
1-(1-acetylpyrrolidine-2-carbonyl)-N-(3-pyrazol-1-ylphenyl)azetidine-3-carboxamide
CID 110247020
1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 43355974
methyl (2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate
CID 79833335

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide (CID 72935452) is (2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide is Cc1nc(CC(=O)N2CCC[C@H]2C(=O)Nc2cccc(-n3cccn3)c2)cs1.
What is the InChIKey of (2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is SNEZAKBKHWPWAB-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-14-22-16(13-28-14)12-19(26)24-9-3-7-18(24)20(27)23-15-5-2-6-17(11-15)25-10-4-8-21-25/h2,4-6,8,10-11,13,18H,3,7,9,12H2,1H3,(H,23,27)/t18-/m0/s1.
What are the key properties of (2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide?
(2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 72935452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).