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

C10H11ClN4OS — CID 5204651

IUPAC4-chloro-1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
SMILESCc1csc(NC(=O)c2c(Cl)c(C)nn2C)n1
InChIInChI=1S/C10H11ClN4OS/c1-5-4-17-10(12-5)13-9(16)8-7(11)6(2)14-15(8)3/h4H,1-3H3,(H,12,13,16)
InChIKeyNANLNJQCXIVKAE-UHFFFAOYSA-N
MW270.75 g/mol
LogP2.40
Rot. Bonds2

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

4-chloro-1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide (PubChem CID 5204651) has the molecular formula C10H11ClN4OS and a molecular weight of 270.75 g/mol. Its IUPAC name is 4-chloro-1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
PubChem CID5204651
Molecular FormulaC10H11ClN4OS
Molecular Weight270.75 g/mol
Exact Mass270.03
IUPAC Name4-chloro-1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
SMILESCc1csc(NC(=O)c2c(Cl)c(C)nn2C)n1
InChIInChI=1S/C10H11ClN4OS/c1-5-4-17-10(12-5)13-9(16)8-7(11)6(2)14-15(8)3/h4H,1-3H3,(H,12,13,16)
InChIKeyNANLNJQCXIVKAE-UHFFFAOYSA-N
XLogP2.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.75
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 893021
4-chloro-1-ethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 831979
1,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide
CID 844718
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 56649132
N-(5-acetyl-4-methylthiazol-2-yl)-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 16952132
1,5-dimethyl-N-(thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 16952207
N-(5-acetyl-4-methylthiazol-2-yl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 16952740
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-3-methyl-1H-pyrazole-5-carboxamide
CID 25854624
N-(5-methyl-3-thia-1,5-diaza-4,5,6,7-tetrahydro-2-indenyl)-1-methyl-3-methyl-5-pyrazolecarboxamide
CID 30607782
N-(4-(2-amino-2-oxoethyl)thiazol-2-yl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
CID 49720286
1,3-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 16952691
4-chloro-N-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 21801154

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide (CID 5204651) is 4-chloro-1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide is Cc1csc(NC(=O)c2c(Cl)c(C)nn2C)n1.
What is the InChIKey of 4-chloro-1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The InChIKey is NANLNJQCXIVKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4OS/c1-5-4-17-10(12-5)13-9(16)8-7(11)6(2)14-15(8)3/h4H,1-3H3,(H,12,13,16).
What are the key properties of 4-chloro-1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
4-chloro-1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide has a molecular weight of 270.75 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 5204651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).