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

C9H9ClN4OS — CID 6471003

IUPAC4-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
SMILESCc1cnc(NC(=O)c2c(Cl)cnn2C)s1
InChIInChI=1S/C9H9ClN4OS/c1-5-3-11-9(16-5)13-8(15)7-6(10)4-12-14(7)2/h3-4H,1-2H3,(H,11,13,15)
InChIKeyDDGPIMRGPVTWMK-UHFFFAOYSA-N
MW256.72 g/mol
LogP2.09
Rot. Bonds2

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

4-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide (PubChem CID 6471003) has the molecular formula C9H9ClN4OS and a molecular weight of 256.72 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
PubChem CID6471003
Molecular FormulaC9H9ClN4OS
Molecular Weight256.72 g/mol
Exact Mass256.02
IUPAC Name4-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
SMILESCc1cnc(NC(=O)c2c(Cl)cnn2C)s1
InChIInChI=1S/C9H9ClN4OS/c1-5-3-11-9(16-5)13-8(15)7-6(10)4-12-14(7)2/h3-4H,1-2H3,(H,11,13,15)
InChIKeyDDGPIMRGPVTWMK-UHFFFAOYSA-N
XLogP2.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.72
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide (CID 6471003) is 4-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide is Cc1cnc(NC(=O)c2c(Cl)cnn2C)s1.
What is the InChIKey of 4-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The InChIKey is DDGPIMRGPVTWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4OS/c1-5-3-11-9(16-5)13-8(15)7-6(10)4-12-14(7)2/h3-4H,1-2H3,(H,11,13,15).
What are the key properties of 4-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
4-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide has a molecular weight of 256.72 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 6471003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).