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

C17H18N4O2S — CID 25284660

IUPAC1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
SMILESCCCOc1ccc(-c2csc(NC(=O)c3ccn(C)n3)n2)cc1
InChIInChI=1S/C17H18N4O2S/c1-3-10-23-13-6-4-12(5-7-13)15-11-24-17(18-15)19-16(22)14-8-9-21(2)20-14/h4-9,11H,3,10H2,1-2H3,(H,18,19,22)
InChIKeyZPIKRKNSCZRUPX-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.58
Rot. Bonds6

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

1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide (PubChem CID 25284660) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
PubChem CID25284660
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
SMILESCCCOc1ccc(-c2csc(NC(=O)c3ccn(C)n3)n2)cc1
InChIInChI=1S/C17H18N4O2S/c1-3-10-23-13-6-4-12(5-7-13)15-11-24-17(18-15)19-16(22)14-8-9-21(2)20-14/h4-9,11H,3,10H2,1-2H3,(H,18,19,22)
InChIKeyZPIKRKNSCZRUPX-UHFFFAOYSA-N
XLogP3.58
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide (CID 25284660) is 1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide is CCCOc1ccc(-c2csc(NC(=O)c3ccn(C)n3)n2)cc1.
What is the InChIKey of 1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The InChIKey is ZPIKRKNSCZRUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-3-10-23-13-6-4-12(5-7-13)15-11-24-17(18-15)19-16(22)14-8-9-21(2)20-14/h4-9,11H,3,10H2,1-2H3,(H,18,19,22).
What are the key properties of 1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 25284660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).