1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C15H17N5O2S — CID 60524677

IUPAC1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN1C(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C15H17N5O2S/c21-13(17-15-16-5-7-23-15)12-2-1-6-20(12)14(22)11-8-10(18-19-11)9-3-4-9/h5,7-9,12H,1-4,6H2,(H,18,19)(H,16,17,21)
InChIKeyASXRXQYWBNRIPK-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.99
Rot. Bonds4

About 1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 60524677) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID60524677
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN1C(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C15H17N5O2S/c21-13(17-15-16-5-7-23-15)12-2-1-6-20(12)14(22)11-8-10(18-19-11)9-3-4-9/h5,7-9,12H,1-4,6H2,(H,18,19)(H,16,17,21)
InChIKeyASXRXQYWBNRIPK-UHFFFAOYSA-N
XLogP1.99
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4883035
(2R)-1-(2-oxo-1H-pyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95286227
1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 46758046
1-(2,5-dimethylfuran-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 136576772
1-(5-nitro-1H-indazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 60524660
1-(4-methylsulfanylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 78864863
5-cyclopropyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-1H-pyrazole-3-carboxamide
CID 50955525
(2S)-1-(5-bromo-2-fluorobenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 51935113
(2R)-1-(5-bromo-2-fluorobenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 51935112
1-(2-bromo-5-chlorobenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 78865044
1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 120635830
1-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 136576503

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 60524677) is 1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is O=C(Nc1nccs1)C1CCCN1C(=O)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is ASXRXQYWBNRIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c21-13(17-15-16-5-7-23-15)12-2-1-6-20(12)14(22)11-8-10(18-19-11)9-3-4-9/h5,7-9,12H,1-4,6H2,(H,18,19)(H,16,17,21).
What are the key properties of 1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 60524677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).