3-cyclopropyl-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-phenylpyrazole-5-carboxamide

C27H24N4O3 — CID 16557342

IUPAC3-cyclopropyl-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-phenylpyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)cc2)cc1
InChIInChI=1S/C27H24N4O3/c1-34-23-15-13-21(14-16-23)28-26(32)19-9-11-20(12-10-19)29-27(33)25-17-24(18-7-8-18)30-31(25)22-5-3-2-4-6-22/h2-6,9-18H,7-8H2,1H3,(H,28,32)(H,29,33)
InChIKeySKHSCZMACFTFQW-UHFFFAOYSA-N
MW452.51 g/mol
LogP5.26
Rot. Bonds7

About 3-cyclopropyl-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-phenylpyrazole-5-carboxamide

3-cyclopropyl-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-phenylpyrazole-5-carboxamide (PubChem CID 16557342) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is 3-cyclopropyl-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-phenylpyrazole-5-carboxamide
PubChem CID16557342
Molecular FormulaC27H24N4O3
Molecular Weight452.51 g/mol
Exact Mass452.18
IUPAC Name3-cyclopropyl-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-phenylpyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)cc2)cc1
InChIInChI=1S/C27H24N4O3/c1-34-23-15-13-21(14-16-23)28-26(32)19-9-11-20(12-10-19)29-27(33)25-17-24(18-7-8-18)30-31(25)22-5-3-2-4-6-22/h2-6,9-18H,7-8H2,1H3,(H,28,32)(H,29,33)
InChIKeySKHSCZMACFTFQW-UHFFFAOYSA-N
XLogP5.26
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.51
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-N-(3-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 27167430
dimethyl 5-[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate
CID 26737011
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7900022
3-cyclopropyl-N-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazole-5-carboxamide
CID 9438240
3-cyclopropyl-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrazole-5-carboxamide
CID 46439782
N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
CID 27555772
N-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7899964
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9327914
4-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)benzamide
CID 78830462
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide
CID 18169018
3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404708

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-phenylpyrazole-5-carboxamide (CID 16557342) is 3-cyclopropyl-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-phenylpyrazole-5-carboxamide is COc1ccc(NC(=O)c2ccc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-cyclopropyl-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-phenylpyrazole-5-carboxamide?
The InChIKey is SKHSCZMACFTFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3/c1-34-23-15-13-21(14-16-23)28-26(32)19-9-11-20(12-10-19)29-27(33)25-17-24(18-7-8-18)30-31(25)22-5-3-2-4-6-22/h2-6,9-18H,7-8H2,1H3,(H,28,32)(H,29,33).
What are the key properties of 3-cyclopropyl-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-phenylpyrazole-5-carboxamide?
3-cyclopropyl-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-phenylpyrazole-5-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 16557342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).