(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide

C15H21N5OS — CID 120939712

IUPAC(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide
SMILESCn1cc([C@H]2CNC[C@@H]2C(=O)NC(C)(C)c2nccs2)cn1
InChIInChI=1S/C15H21N5OS/c1-15(2,14-17-4-5-22-14)19-13(21)12-8-16-7-11(12)10-6-18-20(3)9-10/h4-6,9,11-12,16H,7-8H2,1-3H3,(H,19,21)/t11-,12+/m1/s1
InChIKeyGXKBJAFGUWVKRQ-NEPJUHHUSA-N
MW319.43 g/mol
LogP1.23
Rot. Bonds4

About (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide

(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide (PubChem CID 120939712) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide
PubChem CID120939712
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide
SMILESCn1cc([C@H]2CNC[C@@H]2C(=O)NC(C)(C)c2nccs2)cn1
InChIInChI=1S/C15H21N5OS/c1-15(2,14-17-4-5-22-14)19-13(21)12-8-16-7-11(12)10-6-18-20(3)9-10/h4-6,9,11-12,16H,7-8H2,1-3H3,(H,19,21)/t11-,12+/m1/s1
InChIKeyGXKBJAFGUWVKRQ-NEPJUHHUSA-N
XLogP1.23
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(1,3-thiazol-2-yl)butan-2-yl]pyrrolidine-3-carboxamide;dihydrochloride
CID 120942262
(3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
CID 120942184
[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 120940784
N-[2-(1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide
CID 110471917
(3R,4S)-N-cyclobutyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120924751
(3R,4S)-N-(3-methylcyclobutyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120933475
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120918020
(3R,4S)-N-[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120937117
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide
CID 120917720
[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 120916885
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 120917398
(3R,4S)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120933209

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide (CID 120939712) is (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide is Cn1cc([C@H]2CNC[C@@H]2C(=O)NC(C)(C)c2nccs2)cn1.
What is the InChIKey of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is GXKBJAFGUWVKRQ-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-15(2,14-17-4-5-22-14)19-13(21)12-8-16-7-11(12)10-6-18-20(3)9-10/h4-6,9,11-12,16H,7-8H2,1-3H3,(H,19,21)/t11-,12+/m1/s1.
What are the key properties of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide?
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 120939712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).