N-cyclohexyl-3-cyclopropyl-1-phenylpyrazole-5-carboxamide

C19H23N3O — CID 9205921

IUPACN-cyclohexyl-3-cyclopropyl-1-phenylpyrazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C19H23N3O/c23-19(20-15-7-3-1-4-8-15)18-13-17(14-11-12-14)21-22(18)16-9-5-2-6-10-16/h2,5-6,9-10,13-15H,1,3-4,7-8,11-12H2,(H,20,23)
InChIKeyAYXLTKNGRHZVGY-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.81
Rot. Bonds4

About N-cyclohexyl-3-cyclopropyl-1-phenylpyrazole-5-carboxamide

N-cyclohexyl-3-cyclopropyl-1-phenylpyrazole-5-carboxamide (PubChem CID 9205921) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-cyclohexyl-3-cyclopropyl-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-cyclopropyl-1-phenylpyrazole-5-carboxamide
PubChem CID9205921
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-cyclohexyl-3-cyclopropyl-1-phenylpyrazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C19H23N3O/c23-19(20-15-7-3-1-4-8-15)18-13-17(14-11-12-14)21-22(18)16-9-5-2-6-10-16/h2,5-6,9-10,13-15H,1,3-4,7-8,11-12H2,(H,20,23)
InChIKeyAYXLTKNGRHZVGY-UHFFFAOYSA-N
XLogP3.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-cyclopropyl-1-phenylpyrazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-3-cyclopropyl-1-phenylpyrazole-5-carboxamide (CID 9205921) is N-cyclohexyl-3-cyclopropyl-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-cyclopropyl-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-3-cyclopropyl-1-phenylpyrazole-5-carboxamide is O=C(NC1CCCCC1)c1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of N-cyclohexyl-3-cyclopropyl-1-phenylpyrazole-5-carboxamide?
The InChIKey is AYXLTKNGRHZVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(20-15-7-3-1-4-8-15)18-13-17(14-11-12-14)21-22(18)16-9-5-2-6-10-16/h2,5-6,9-10,13-15H,1,3-4,7-8,11-12H2,(H,20,23).
What are the key properties of N-cyclohexyl-3-cyclopropyl-1-phenylpyrazole-5-carboxamide?
N-cyclohexyl-3-cyclopropyl-1-phenylpyrazole-5-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-cyclopropyl-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 9205921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).