1-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-4-carboxamide

C14H13N5OS — CID 59580544

IUPAC1-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-4-carboxamide
SMILESCc1nc(-c2cccnc2)sc1NC(=O)c1cnn(C)c1
InChIInChI=1S/C14H13N5OS/c1-9-13(18-12(20)11-7-16-19(2)8-11)21-14(17-9)10-4-3-5-15-6-10/h3-8H,1-2H3,(H,18,20)
InChIKeyYQCKYJIFWVJOJC-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.50
Rot. Bonds3

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

1-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-4-carboxamide (PubChem CID 59580544) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 1-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-4-carboxamide
PubChem CID59580544
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name1-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-4-carboxamide
SMILESCc1nc(-c2cccnc2)sc1NC(=O)c1cnn(C)c1
InChIInChI=1S/C14H13N5OS/c1-9-13(18-12(20)11-7-16-19(2)8-11)21-14(17-9)10-4-3-5-15-6-10/h3-8H,1-2H3,(H,18,20)
InChIKeyYQCKYJIFWVJOJC-UHFFFAOYSA-N
XLogP2.50
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.50
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-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-4-carboxamide (CID 59580544) is 1-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-4-carboxamide is Cc1nc(-c2cccnc2)sc1NC(=O)c1cnn(C)c1.
What is the InChIKey of 1-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-4-carboxamide?
The InChIKey is YQCKYJIFWVJOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-9-13(18-12(20)11-7-16-19(2)8-11)21-14(17-9)10-4-3-5-15-6-10/h3-8H,1-2H3,(H,18,20).
What are the key properties of 1-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-4-carboxamide?
1-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-4-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 59580544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).