5-chloro-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide

C18H20ClN5OS — CID 29298840

IUPAC5-chloro-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)s1
InChIInChI=1S/C18H20ClN5OS/c1-4-12(5-2)17-21-22-18(26-17)20-16(25)14-11(3)23-24(15(14)19)13-9-7-6-8-10-13/h6-10,12H,4-5H2,1-3H3,(H,20,22,25)
InChIKeyISKYMZCGPVCLDA-UHFFFAOYSA-N
MW389.91 g/mol
LogP4.84
Rot. Bonds6

About 5-chloro-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide

5-chloro-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 29298840) has the molecular formula C18H20ClN5OS and a molecular weight of 389.91 g/mol. Its IUPAC name is 5-chloro-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID29298840
Molecular FormulaC18H20ClN5OS
Molecular Weight389.91 g/mol
Exact Mass389.11
IUPAC Name5-chloro-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)s1
InChIInChI=1S/C18H20ClN5OS/c1-4-12(5-2)17-21-22-18(26-17)20-16(25)14-11(3)23-24(15(14)19)13-9-7-6-8-10-13/h6-10,12H,4-5H2,1-3H3,(H,20,22,25)
InChIKeyISKYMZCGPVCLDA-UHFFFAOYSA-N
XLogP4.84
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 2550604
2-ethyl-3-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5,6-diphenylpyridazine-4-carboxamide
CID 108803455
(2R)-2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 91645010
3-(2-chlorophenyl)-5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 1303357
(E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 16551243
4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675853
3,4-dichloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 735079
5-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 134022863
N-(4-tert-butylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26102988
5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3132709
5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 680133
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1086879

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide (CID 29298840) is 5-chloro-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide is CCC(CC)c1nnc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)s1.
What is the InChIKey of 5-chloro-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is ISKYMZCGPVCLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5OS/c1-4-12(5-2)17-21-22-18(26-17)20-16(25)14-11(3)23-24(15(14)19)13-9-7-6-8-10-13/h6-10,12H,4-5H2,1-3H3,(H,20,22,25).
What are the key properties of 5-chloro-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide?
5-chloro-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 389.91 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 29298840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).