5-cyclopropyl-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-4-carboxamide

C23H25N3O2 — CID 112817431

IUPAC5-cyclopropyl-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-4-carboxamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)c1cnn(-c2ccccc2)c1C1CC1
InChIInChI=1S/C23H25N3O2/c1-3-25(16-17-9-13-20(28-2)14-10-17)23(27)21-15-24-26(22(21)18-11-12-18)19-7-5-4-6-8-19/h4-10,13-15,18H,3,11-12,16H2,1-2H3
InChIKeyZUPILLJEIPCVHJ-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.42
Rot. Bonds7

About 5-cyclopropyl-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-4-carboxamide

5-cyclopropyl-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 112817431) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 5-cyclopropyl-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-4-carboxamide
PubChem CID112817431
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name5-cyclopropyl-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-4-carboxamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)c1cnn(-c2ccccc2)c1C1CC1
InChIInChI=1S/C23H25N3O2/c1-3-25(16-17-9-13-20(28-2)14-10-17)23(27)21-15-24-26(22(21)18-11-12-18)19-7-5-4-6-8-19/h4-10,13-15,18H,3,11-12,16H2,1-2H3
InChIKeyZUPILLJEIPCVHJ-UHFFFAOYSA-N
XLogP4.42
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
CID 63173747
5-cyclopropyl-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide
CID 112814315
ethyl 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 63235121
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide
CID 34468319
N-ethyl-N-[(4-methoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 55593523
tert-butyl 4-[4-[(4-methoxyphenyl)methylcarbamoyl]-1-phenylpyrazol-5-yl]piperidine-1-carboxylate
CID 122175656
5-cyclopropyl-N-(naphthalen-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 112816283
N-(3-amino-2,2-dimethylpropyl)-5-cyclopropyl-N-methyl-1-phenylpyrazole-4-carboxamide
CID 119655718
5-cyclopropyl-N-ethyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 42172287
methyl 5-amino-1-[4-[benzyl(ethyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363473
5-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 42949053
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924020

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-4-carboxamide (CID 112817431) is 5-cyclopropyl-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-4-carboxamide is CCN(Cc1ccc(OC)cc1)C(=O)c1cnn(-c2ccccc2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is ZUPILLJEIPCVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-3-25(16-17-9-13-20(28-2)14-10-17)23(27)21-15-24-26(22(21)18-11-12-18)19-7-5-4-6-8-19/h4-10,13-15,18H,3,11-12,16H2,1-2H3.
What are the key properties of 5-cyclopropyl-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-4-carboxamide?
5-cyclopropyl-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 112817431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).