N-[4-(diethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

C28H28N4O3 — CID 34544116

IUPACN-[4-(diethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2OC)cc1
InChIInChI=1S/C28H28N4O3/c1-4-31(5-2)28(34)20-15-17-21(18-16-20)29-27(33)24-19-32(22-11-7-6-8-12-22)30-26(24)23-13-9-10-14-25(23)35-3/h6-19H,4-5H2,1-3H3,(H,29,33)
InChIKeyPRKNTXXIOMMWPF-UHFFFAOYSA-N
MW468.56 g/mol
LogP5.28
Rot. Bonds8

About N-[4-(diethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

N-[4-(diethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 34544116) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-[4-(diethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID34544116
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC NameN-[4-(diethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2OC)cc1
InChIInChI=1S/C28H28N4O3/c1-4-31(5-2)28(34)20-15-17-21(18-16-20)29-27(33)24-19-32(22-11-7-6-8-12-22)30-26(24)23-13-9-10-14-25(23)35-3/h6-19H,4-5H2,1-3H3,(H,29,33)
InChIKeyPRKNTXXIOMMWPF-UHFFFAOYSA-N
XLogP5.28
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 8744666
3-(2-methoxyphenyl)-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 8760149
3-(2-methoxyphenyl)-1-phenyl-N-pyridin-4-ylpyrazole-4-carboxamide
CID 30157703
N-(3-hydroxypropyl)-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78796345
3-(2-methoxyphenyl)-N-[2-oxo-2-(propylamino)ethyl]-1-phenylpyrazole-4-carboxamide
CID 9163277
3-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 8781230
3-(2-methoxyphenyl)-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 31340329
3-(2-methoxyphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phenylpyrazole-4-carboxamide
CID 9301390
3-(2-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylpyrazole-4-carboxamide
CID 35606382
3-(2-methoxyphenyl)-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-phenylpyrazole-4-carboxamide
CID 55451977
3-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-phenylpyrazole-4-carboxamide
CID 41104750
3-(2-methoxyphenyl)-N-[2-(2-methylphenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 55954223

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(diethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 34544116) is N-[4-(diethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(diethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(diethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is CCN(CC)C(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2OC)cc1.
What is the InChIKey of N-[4-(diethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is PRKNTXXIOMMWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-4-31(5-2)28(34)20-15-17-21(18-16-20)29-27(33)24-19-32(22-11-7-6-8-12-22)30-26(24)23-13-9-10-14-25(23)35-3/h6-19H,4-5H2,1-3H3,(H,29,33).
What are the key properties of N-[4-(diethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
N-[4-(diethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 34544116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).