1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide

C14H18N4O2S — CID 128973873

IUPAC1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide
SMILESCc1cnc(CNC(=O)c2cn(C)nc2C2CCOC2)s1
InChIInChI=1S/C14H18N4O2S/c1-9-5-15-12(21-9)6-16-14(19)11-7-18(2)17-13(11)10-3-4-20-8-10/h5,7,10H,3-4,6,8H2,1-2H3,(H,16,19)
InChIKeyAWULBDRICKVCJP-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.62
Rot. Bonds4

About 1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide

1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide (PubChem CID 128973873) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide
PubChem CID128973873
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide
SMILESCc1cnc(CNC(=O)c2cn(C)nc2C2CCOC2)s1
InChIInChI=1S/C14H18N4O2S/c1-9-5-15-12(21-9)6-16-14(19)11-7-18(2)17-13(11)10-3-4-20-8-10/h5,7,10H,3-4,6,8H2,1-2H3,(H,16,19)
InChIKeyAWULBDRICKVCJP-UHFFFAOYSA-N
XLogP1.62
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide (CID 128973873) is 1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide is Cc1cnc(CNC(=O)c2cn(C)nc2C2CCOC2)s1.
What is the InChIKey of 1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide?
The InChIKey is AWULBDRICKVCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-9-5-15-12(21-9)6-16-14(19)11-7-18(2)17-13(11)10-3-4-20-8-10/h5,7,10H,3-4,6,8H2,1-2H3,(H,16,19).
What are the key properties of 1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide?
1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 128973873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).