(2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C18H22N4O2S — CID 9112532

IUPAC(2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESC[C@@H](C1CC1)n1nccc1NC(=O)[C@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C18H22N4O2S/c1-12(13-6-7-13)22-16(8-9-19-22)20-17(23)14-4-2-10-21(14)18(24)15-5-3-11-25-15/h3,5,8-9,11-14H,2,4,6-7,10H2,1H3,(H,20,23)/t12-,14+/m0/s1
InChIKeyWBVQGSMYSBOWQQ-GXTWGEPZSA-N
MW358.47 g/mol
LogP3.16
Rot. Bonds5

About (2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

(2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 9112532) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is (2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID9112532
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name(2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESC[C@@H](C1CC1)n1nccc1NC(=O)[C@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C18H22N4O2S/c1-12(13-6-7-13)22-16(8-9-19-22)20-17(23)14-4-2-10-21(14)18(24)15-5-3-11-25-15/h3,5,8-9,11-14H,2,4,6-7,10H2,1H3,(H,20,23)/t12-,14+/m0/s1
InChIKeyWBVQGSMYSBOWQQ-GXTWGEPZSA-N
XLogP3.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4883035
N-(4-bromo-2,6-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 3130752
(2R)-N-methylsulfonyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 94188023
N-(3-aminobutyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119499235
N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 18225954
2-methyl-3-[4-[[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]propanoic acid
CID 120540851
(2S)-1-(thiophene-2-carbonyl)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrrolidine-2-carboxamide
CID 55938470
(2S)-N-(3,4-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 1203465
N-[4-(difluoromethylsulfanyl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 78773608
2-[[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]amino]propanoic acid
CID 119348963
N-(3,5-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 17406462
(2S)-N-prop-2-ynyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18110042

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 9112532) is (2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is C[C@@H](C1CC1)n1nccc1NC(=O)[C@H]1CCCN1C(=O)c1cccs1.
What is the InChIKey of (2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is WBVQGSMYSBOWQQ-GXTWGEPZSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-12(13-6-7-13)22-16(8-9-19-22)20-17(23)14-4-2-10-21(14)18(24)15-5-3-11-25-15/h3,5,8-9,11-14H,2,4,6-7,10H2,1H3,(H,20,23)/t12-,14+/m0/s1.
What are the key properties of (2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
(2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 9112532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).