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

C18H19ClN4OS — CID 141476995

IUPAC4-chloro-3-ethyl-1-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCc2csc(-c3ccc(C)cc3)n2)c1Cl
InChIInChI=1S/C18H19ClN4OS/c1-4-14-15(19)16(23(3)22-14)17(24)20-9-13-10-25-18(21-13)12-7-5-11(2)6-8-12/h5-8,10H,4,9H2,1-3H3,(H,20,24)
InChIKeyYZKNZTVNCQCAMP-UHFFFAOYSA-N
MW374.90 g/mol
LogP4.00
Rot. Bonds5

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

4-chloro-3-ethyl-1-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrazole-5-carboxamide (PubChem CID 141476995) has the molecular formula C18H19ClN4OS and a molecular weight of 374.90 g/mol. Its IUPAC name is 4-chloro-3-ethyl-1-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-3-ethyl-1-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrazole-5-carboxamide
PubChem CID141476995
Molecular FormulaC18H19ClN4OS
Molecular Weight374.90 g/mol
Exact Mass374.10
IUPAC Name4-chloro-3-ethyl-1-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCc2csc(-c3ccc(C)cc3)n2)c1Cl
InChIInChI=1S/C18H19ClN4OS/c1-4-14-15(19)16(23(3)22-14)17(24)20-9-13-10-25-18(21-13)12-7-5-11(2)6-8-12/h5-8,10H,4,9H2,1-3H3,(H,20,24)
InChIKeyYZKNZTVNCQCAMP-UHFFFAOYSA-N
XLogP4.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.90
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethyl-1-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-3-ethyl-1-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrazole-5-carboxamide (CID 141476995) is 4-chloro-3-ethyl-1-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-3-ethyl-1-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-3-ethyl-1-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NCc2csc(-c3ccc(C)cc3)n2)c1Cl.
What is the InChIKey of 4-chloro-3-ethyl-1-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrazole-5-carboxamide?
The InChIKey is YZKNZTVNCQCAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4OS/c1-4-14-15(19)16(23(3)22-14)17(24)20-9-13-10-25-18(21-13)12-7-5-11(2)6-8-12/h5-8,10H,4,9H2,1-3H3,(H,20,24).
What are the key properties of 4-chloro-3-ethyl-1-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrazole-5-carboxamide?
4-chloro-3-ethyl-1-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrazole-5-carboxamide has a molecular weight of 374.90 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethyl-1-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 141476995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).