1-methyl-3-[(3R)-oxolan-3-yl]-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-carboxamide

C15H20N4O2S — CID 129477879

IUPAC1-methyl-3-[(3R)-oxolan-3-yl]-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-carboxamide
SMILESC[C@@H](CNC(=O)c1cn(C)nc1[C@H]1CCOC1)c1nccs1
InChIInChI=1S/C15H20N4O2S/c1-10(15-16-4-6-22-15)7-17-14(20)12-8-19(2)18-13(12)11-3-5-21-9-11/h4,6,8,10-11H,3,5,7,9H2,1-2H3,(H,17,20)/t10-,11-/m0/s1
InChIKeyFQRABMFZCSRFLP-QWRGUYRKSA-N
MW320.42 g/mol
LogP1.91
Rot. Bonds5

About 1-methyl-3-[(3R)-oxolan-3-yl]-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-carboxamide

1-methyl-3-[(3R)-oxolan-3-yl]-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-carboxamide (PubChem CID 129477879) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-methyl-3-[(3R)-oxolan-3-yl]-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-3-[(3R)-oxolan-3-yl]-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-carboxamide
PubChem CID129477879
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name1-methyl-3-[(3R)-oxolan-3-yl]-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-carboxamide
SMILESC[C@@H](CNC(=O)c1cn(C)nc1[C@H]1CCOC1)c1nccs1
InChIInChI=1S/C15H20N4O2S/c1-10(15-16-4-6-22-15)7-17-14(20)12-8-19(2)18-13(12)11-3-5-21-9-11/h4,6,8,10-11H,3,5,7,9H2,1-2H3,(H,17,20)/t10-,11-/m0/s1
InChIKeyFQRABMFZCSRFLP-QWRGUYRKSA-N
XLogP1.91
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3R)-oxolan-3-yl]-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-3-[(3R)-oxolan-3-yl]-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-carboxamide (CID 129477879) is 1-methyl-3-[(3R)-oxolan-3-yl]-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-3-[(3R)-oxolan-3-yl]-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-3-[(3R)-oxolan-3-yl]-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-carboxamide is C[C@@H](CNC(=O)c1cn(C)nc1[C@H]1CCOC1)c1nccs1.
What is the InChIKey of 1-methyl-3-[(3R)-oxolan-3-yl]-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-carboxamide?
The InChIKey is FQRABMFZCSRFLP-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-10(15-16-4-6-22-15)7-17-14(20)12-8-19(2)18-13(12)11-3-5-21-9-11/h4,6,8,10-11H,3,5,7,9H2,1-2H3,(H,17,20)/t10-,11-/m0/s1.
What are the key properties of 1-methyl-3-[(3R)-oxolan-3-yl]-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-carboxamide?
1-methyl-3-[(3R)-oxolan-3-yl]-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3R)-oxolan-3-yl]-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 129477879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).