1-(3-chlorophenyl)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide

C13H8ClF2N5OS — CID 47739921

IUPAC1-(3-chlorophenyl)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide
SMILESO=C(Nc1nnc(C(F)F)s1)c1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C13H8ClF2N5OS/c14-7-2-1-3-8(6-7)21-5-4-9(20-21)11(22)17-13-19-18-12(23-13)10(15)16/h1-6,10H,(H,17,19,22)
InChIKeyOZMKOJUOBLBBNK-UHFFFAOYSA-N
MW355.76 g/mol
LogP3.57
Rot. Bonds4

About 1-(3-chlorophenyl)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide

1-(3-chlorophenyl)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide (PubChem CID 47739921) has the molecular formula C13H8ClF2N5OS and a molecular weight of 355.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide
PubChem CID47739921
Molecular FormulaC13H8ClF2N5OS
Molecular Weight355.76 g/mol
Exact Mass355.01
IUPAC Name1-(3-chlorophenyl)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide
SMILESO=C(Nc1nnc(C(F)F)s1)c1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C13H8ClF2N5OS/c14-7-2-1-3-8(6-7)21-5-4-9(20-21)11(22)17-13-19-18-12(23-13)10(15)16/h1-6,10H,(H,17,19,22)
InChIKeyOZMKOJUOBLBBNK-UHFFFAOYSA-N
XLogP3.57
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.76
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carboxamide
CID 94677135
N-(5-carbamoyl-2-methoxyphenyl)-1-(3-chlorophenyl)pyrazole-3-carboxamide
CID 55924906
N-(2-anilino-2-oxoethyl)-1-(3-chlorophenyl)-N-methylpyrazole-3-carboxamide
CID 51122600
1-(3-aminophenyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 43475407
4-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229443
1-[2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide
CID 55966834
1-(3-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide
CID 55923834
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-iodo-3-methylbenzamide
CID 47399402
benzyl 1-(3-chlorophenyl)pyrazole-3-carboxylate
CID 60546555
1-(3-chlorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-3-carboxamide
CID 55924272
1-(3-chlorophenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 55929884
2-benzoyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 47799641

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide (CID 47739921) is 1-(3-chlorophenyl)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide is O=C(Nc1nnc(C(F)F)s1)c1ccn(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide?
The InChIKey is OZMKOJUOBLBBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2N5OS/c14-7-2-1-3-8(6-7)21-5-4-9(20-21)11(22)17-13-19-18-12(23-13)10(15)16/h1-6,10H,(H,17,19,22).
What are the key properties of 1-(3-chlorophenyl)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide?
1-(3-chlorophenyl)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide has a molecular weight of 355.76 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 47739921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).