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

C17H17ClN4OS — CID 999172

IUPAC4-chloro-1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)n1
InChIInChI=1S/C17H17ClN4OS/c1-4-22-9-13(18)15(21-22)16(23)20-17-19-14(11(3)24-17)12-7-5-10(2)6-8-12/h5-9H,4H2,1-3H3,(H,19,20,23)
InChIKeyHXAHKYQUDIHABE-UHFFFAOYSA-N
MW360.87 g/mol
LogP4.55
Rot. Bonds4

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

4-chloro-1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide (PubChem CID 999172) has the molecular formula C17H17ClN4OS and a molecular weight of 360.87 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
PubChem CID999172
Molecular FormulaC17H17ClN4OS
Molecular Weight360.87 g/mol
Exact Mass360.08
IUPAC Name4-chloro-1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)n1
InChIInChI=1S/C17H17ClN4OS/c1-4-22-9-13(18)15(21-22)16(23)20-17-19-14(11(3)24-17)12-7-5-10(2)6-8-12/h5-9H,4H2,1-3H3,(H,19,20,23)
InChIKeyHXAHKYQUDIHABE-UHFFFAOYSA-N
XLogP4.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide
CID 19263258
4-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 134059869
5-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 17249187
4-chloro-1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
CID 39855114
4-chloro-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
CID 19337852
4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1185902
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 19172938
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470
4-chloro-1-ethyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 35522426
4-chloro-1-ethyl-N-(2-ethylphenyl)pyrazole-3-carboxamide
CID 35522358
N-(1-benzyl-4-chloropyrazol-3-yl)-4-chloro-1-ethylpyrazole-3-carboxamide
CID 19263402
1-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 78826199

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide (CID 999172) is 4-chloro-1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)n1.
What is the InChIKey of 4-chloro-1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The InChIKey is HXAHKYQUDIHABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4OS/c1-4-22-9-13(18)15(21-22)16(23)20-17-19-14(11(3)24-17)12-7-5-10(2)6-8-12/h5-9H,4H2,1-3H3,(H,19,20,23).
What are the key properties of 4-chloro-1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
4-chloro-1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide has a molecular weight of 360.87 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 999172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).