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

C16H14N4OS — CID 39992666

IUPAC5-cyclopropyl-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1cnn(-c2ccccc2)c1C1CC1
InChIInChI=1S/C16H14N4OS/c21-15(19-16-17-8-9-22-16)13-10-18-20(14(13)11-6-7-11)12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,17,19,21)
InChIKeyDDDVYIYATDLLJC-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.46
Rot. Bonds4

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

5-cyclopropyl-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 39992666) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 5-cyclopropyl-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
PubChem CID39992666
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name5-cyclopropyl-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1cnn(-c2ccccc2)c1C1CC1
InChIInChI=1S/C16H14N4OS/c21-15(19-16-17-8-9-22-16)13-10-18-20(14(13)11-6-7-11)12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,17,19,21)
InChIKeyDDDVYIYATDLLJC-UHFFFAOYSA-N
XLogP3.46
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminocyclohexyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119477727
3-[(5-cyclopropyl-1-phenylpyrazole-4-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 166271063
N-(2-fluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953791
5-cyclopropyl-1-phenyl-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyrazole-4-carboxamide
CID 112827858
N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide
CID 112846073
(5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone
CID 39992588
N-[(2S)-1-aminopropan-2-yl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120505954
5-cyclopropyl-N-(4-methyl-2-oxochromen-7-yl)-1-phenylpyrazole-4-carboxamide
CID 42949093
5-cyclopropyl-N-(6-hydroxy-1H-indazol-3-yl)-1-phenylpyrazole-4-carboxamide
CID 167861173
5-cyclopropyl-1-(2-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 37022263
1-phenyl-5-propyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide
CID 17015603
5-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 42949053

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (CID 39992666) is 5-cyclopropyl-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is O=C(Nc1nccs1)c1cnn(-c2ccccc2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is DDDVYIYATDLLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c21-15(19-16-17-8-9-22-16)13-10-18-20(14(13)11-6-7-11)12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,17,19,21).
What are the key properties of 5-cyclopropyl-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
5-cyclopropyl-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 39992666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).