1-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxamide

C18H13N5OS — CID 87010055

IUPAC1-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H13N5OS/c24-17(14-11-19-23(12-14)15-9-5-2-6-10-15)21-18-20-16(22-25-18)13-7-3-1-4-8-13/h1-12H,(H,20,21,22,24)
InChIKeyYVBQEQUJCLWHFF-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.64
Rot. Bonds4

About 1-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxamide

1-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxamide (PubChem CID 87010055) has the molecular formula C18H13N5OS and a molecular weight of 347.40 g/mol. Its IUPAC name is 1-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxamide
PubChem CID87010055
Molecular FormulaC18H13N5OS
Molecular Weight347.40 g/mol
Exact Mass347.08
IUPAC Name1-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H13N5OS/c24-17(14-11-19-23(12-14)15-9-5-2-6-10-15)21-18-20-16(22-25-18)13-7-3-1-4-8-13/h1-12H,(H,20,21,22,24)
InChIKeyYVBQEQUJCLWHFF-UHFFFAOYSA-N
XLogP3.64
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
N-(6-chloro-2-pyridinyl)-1-phenylpyrazole-4-carboxamide
CID 115683266
N-(6-chloropyrazin-2-yl)-1-phenylpyrazole-4-carboxamide
CID 104819812
(3-phenyl-1,2,4-thiadiazol-5-yl)carbamothioic S-acid
CID 135291997
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide
CID 24647526
N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide
CID 42009736
N-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 972595
N-(2-aminophenyl)-1-phenylpyrazole-4-carboxamide
CID 28742301
1-phenyl-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 10803880
1-phenyl-N-(1H-pyrazol-4-yl)pyrazole-4-carboxamide
CID 43429648
2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 4182320
1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 27660239

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxamide (CID 87010055) is 1-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxamide is O=C(Nc1nc(-c2ccccc2)ns1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxamide?
The InChIKey is YVBQEQUJCLWHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5OS/c24-17(14-11-19-23(12-14)15-9-5-2-6-10-15)21-18-20-16(22-25-18)13-7-3-1-4-8-13/h1-12H,(H,20,21,22,24).
What are the key properties of 1-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxamide?
1-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 87010055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).