5-(4-chlorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-carboxamide

C17H18ClN5OS — CID 24668121

IUPAC5-(4-chlorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)s1
InChIInChI=1S/C17H18ClN5OS/c1-3-10(4-2)16-22-23-17(25-16)20-15(24)13-9-19-21-14(13)11-5-7-12(18)8-6-11/h5-10H,3-4H2,1-2H3,(H,19,21)(H,20,23,24)
InChIKeyIOKWADFDUQVSBD-UHFFFAOYSA-N
MW375.89 g/mol
LogP4.74
Rot. Bonds6

About 5-(4-chlorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-carboxamide

5-(4-chlorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-carboxamide (PubChem CID 24668121) has the molecular formula C17H18ClN5OS and a molecular weight of 375.89 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-carboxamide
PubChem CID24668121
Molecular FormulaC17H18ClN5OS
Molecular Weight375.89 g/mol
Exact Mass375.09
IUPAC Name5-(4-chlorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)s1
InChIInChI=1S/C17H18ClN5OS/c1-3-10(4-2)16-22-23-17(25-16)20-15(24)13-9-19-21-14(13)11-5-7-12(18)8-6-11/h5-10H,3-4H2,1-2H3,(H,19,21)(H,20,23,24)
InChIKeyIOKWADFDUQVSBD-UHFFFAOYSA-N
XLogP4.74
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.89
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-N-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 20950773
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 24597712
N-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 71824412
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
4-fluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086860
3,4-difluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 18194623
ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
CID 22831657
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1086879
5-(4-chlorophenyl)-N'-(3-methylbutanoyl)-1H-pyrazole-4-carbohydrazide
CID 18138371
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 24597214
7-chloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide
CID 108804079

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-carboxamide (CID 24668121) is 5-(4-chlorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-carboxamide is CCC(CC)c1nnc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)s1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is IOKWADFDUQVSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5OS/c1-3-10(4-2)16-22-23-17(25-16)20-15(24)13-9-19-21-14(13)11-5-7-12(18)8-6-11/h5-10H,3-4H2,1-2H3,(H,19,21)(H,20,23,24).
What are the key properties of 5-(4-chlorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-carboxamide?
5-(4-chlorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 375.89 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 24668121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).