N-cyclopropyl-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

C20H19N3O2 — CID 9210093

IUPACN-cyclopropyl-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC1CC1
InChIInChI=1S/C20H19N3O2/c1-25-18-10-6-5-9-16(18)19-17(20(24)21-14-11-12-14)13-23(22-19)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H,21,24)
InChIKeyVNWDEEBIRYMHKP-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.44
Rot. Bonds5

About N-cyclopropyl-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

N-cyclopropyl-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 9210093) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-cyclopropyl-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID9210093
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-cyclopropyl-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC1CC1
InChIInChI=1S/C20H19N3O2/c1-25-18-10-6-5-9-16(18)19-17(20(24)21-14-11-12-14)13-23(22-19)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H,21,24)
InChIKeyVNWDEEBIRYMHKP-UHFFFAOYSA-N
XLogP3.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 9210093) is N-cyclopropyl-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is VNWDEEBIRYMHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-25-18-10-6-5-9-16(18)19-17(20(24)21-14-11-12-14)13-23(22-19)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H,21,24).
What are the key properties of N-cyclopropyl-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
N-cyclopropyl-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 9210093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).