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

C17H18ClN5OS — CID 4786773

IUPAC5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
SMILESCCc1nnc(NC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)s1
InChIInChI=1S/C17H18ClN5OS/c1-4-13-20-21-17(25-13)19-16(24)14-11(3)22-23(15(14)18)9-12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3,(H,19,21,24)
InChIKeySVUVMVANYLGHJV-UHFFFAOYSA-N
MW375.89 g/mol
LogP3.87
Rot. Bonds5

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

5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 4786773) has the molecular formula C17H18ClN5OS and a molecular weight of 375.89 g/mol. Its IUPAC name is 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
PubChem CID4786773
Molecular FormulaC17H18ClN5OS
Molecular Weight375.89 g/mol
Exact Mass375.09
IUPAC Name5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
SMILESCCc1nnc(NC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)s1
InChIInChI=1S/C17H18ClN5OS/c1-4-13-20-21-17(25-13)19-16(24)14-11(3)22-23(15(14)18)9-12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3,(H,19,21,24)
InChIKeySVUVMVANYLGHJV-UHFFFAOYSA-N
XLogP3.87
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.89
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 55435522
methyl 2-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]thiophene-3-carboxylate
CID 55811820
5-chloro-N-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 18292119
N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 55572668
5-chloro-N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 47047713
methyl 3-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]thiophene-2-carboxylate
CID 55413297
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8777740
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 4628738
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 55812614
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
CID 18270741
5-chloro-N-(5-chloro-2-hydroxyphenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 56581250
5-chloro-N-[(4-chlorophenyl)methyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 26911967

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide (CID 4786773) is 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide is CCc1nnc(NC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)s1.
What is the InChIKey of 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is SVUVMVANYLGHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5OS/c1-4-13-20-21-17(25-13)19-16(24)14-11(3)22-23(15(14)18)9-12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3,(H,19,21,24).
What are the key properties of 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 375.89 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 4786773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).