3-cyclopropyl-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrazole-5-carboxamide

C23H19N5O — CID 46439782

IUPAC3-cyclopropyl-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrazole-5-carboxamide
SMILESO=C(Nc1cnc(-c2ccccc2)nc1)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C23H19N5O/c29-23(26-18-14-24-22(25-15-18)17-7-3-1-4-8-17)21-13-20(16-11-12-16)27-28(21)19-9-5-2-6-10-19/h1-10,13-16H,11-12H2,(H,26,29)
InChIKeyNEBADUFAPYHJKR-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.46
Rot. Bonds5

About 3-cyclopropyl-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrazole-5-carboxamide

3-cyclopropyl-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrazole-5-carboxamide (PubChem CID 46439782) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-cyclopropyl-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrazole-5-carboxamide
PubChem CID46439782
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name3-cyclopropyl-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrazole-5-carboxamide
SMILESO=C(Nc1cnc(-c2ccccc2)nc1)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C23H19N5O/c29-23(26-18-14-24-22(25-15-18)17-7-3-1-4-8-17)21-13-20(16-11-12-16)27-28(21)19-9-5-2-6-10-19/h1-10,13-16H,11-12H2,(H,26,29)
InChIKeyNEBADUFAPYHJKR-UHFFFAOYSA-N
XLogP4.46
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 5-[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate
CID 26737011
3-cyclopropyl-N-(3-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 27167430
N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
CID 27555772
N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide
CID 34136216
3-cyclopropyl-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-phenylpyrazole-5-carboxamide
CID 16557342
3-cyclopropyl-N-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazole-5-carboxamide
CID 9438240
N-(2-bromo-4-methylphenyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide
CID 30843040
3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide
CID 18169018
3-cyclopropyl-N-(4-methylcyclohexyl)-1-phenylpyrazole-5-carboxamide
CID 9462634
3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404997
N'-(3-chlorobenzoyl)-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
CID 26768615
3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9292766

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrazole-5-carboxamide (CID 46439782) is 3-cyclopropyl-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrazole-5-carboxamide is O=C(Nc1cnc(-c2ccccc2)nc1)c1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of 3-cyclopropyl-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrazole-5-carboxamide?
The InChIKey is NEBADUFAPYHJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c29-23(26-18-14-24-22(25-15-18)17-7-3-1-4-8-17)21-13-20(16-11-12-16)27-28(21)19-9-5-2-6-10-19/h1-10,13-16H,11-12H2,(H,26,29).
What are the key properties of 3-cyclopropyl-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrazole-5-carboxamide?
3-cyclopropyl-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrazole-5-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 46439782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).