1-ethyl-4-[(4-ethylbenzoyl)amino]-N-phenylpyrazole-3-carboxamide

C21H22N4O2 — CID 19404758

IUPAC1-ethyl-4-[(4-ethylbenzoyl)amino]-N-phenylpyrazole-3-carboxamide
SMILESCCc1ccc(C(=O)Nc2cn(CC)nc2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H22N4O2/c1-3-15-10-12-16(13-11-15)20(26)23-18-14-25(4-2)24-19(18)21(27)22-17-8-6-5-7-9-17/h5-14H,3-4H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyRFBXQWYIXZAODV-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.97
Rot. Bonds6

About 1-ethyl-4-[(4-ethylbenzoyl)amino]-N-phenylpyrazole-3-carboxamide

1-ethyl-4-[(4-ethylbenzoyl)amino]-N-phenylpyrazole-3-carboxamide (PubChem CID 19404758) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-ethyl-4-[(4-ethylbenzoyl)amino]-N-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-[(4-ethylbenzoyl)amino]-N-phenylpyrazole-3-carboxamide
PubChem CID19404758
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-ethyl-4-[(4-ethylbenzoyl)amino]-N-phenylpyrazole-3-carboxamide
SMILESCCc1ccc(C(=O)Nc2cn(CC)nc2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H22N4O2/c1-3-15-10-12-16(13-11-15)20(26)23-18-14-25(4-2)24-19(18)21(27)22-17-8-6-5-7-9-17/h5-14H,3-4H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyRFBXQWYIXZAODV-UHFFFAOYSA-N
XLogP3.97
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-[(2,6-dimethylphenoxy)methyl]benzoyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19404746
1-ethyl-N-phenyl-4-(3-phenylpropanoylamino)pyrazole-3-carboxamide
CID 19404606
4-[(2,4-dimethylbenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19404759
4-[[4-[(4-bromo-2-chlorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19404736
2-[4-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504722
4-(cyclohexanecarbonylamino)-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19404792
4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 4865294
3-[3-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506688
1-ethyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-N-phenylpyrazole-3-carboxamide
CID 19517011
N-(4-ethylphenyl)benzamide
CID 774063
1-ethyl-4-[[5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carbonyl]amino]-N-phenylpyrazole-3-carboxamide
CID 19404728
4-[(4-ethylbenzoyl)amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19410625

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(4-ethylbenzoyl)amino]-N-phenylpyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-4-[(4-ethylbenzoyl)amino]-N-phenylpyrazole-3-carboxamide (CID 19404758) is 1-ethyl-4-[(4-ethylbenzoyl)amino]-N-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-[(4-ethylbenzoyl)amino]-N-phenylpyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-4-[(4-ethylbenzoyl)amino]-N-phenylpyrazole-3-carboxamide is CCc1ccc(C(=O)Nc2cn(CC)nc2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-ethyl-4-[(4-ethylbenzoyl)amino]-N-phenylpyrazole-3-carboxamide?
The InChIKey is RFBXQWYIXZAODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-3-15-10-12-16(13-11-15)20(26)23-18-14-25(4-2)24-19(18)21(27)22-17-8-6-5-7-9-17/h5-14H,3-4H2,1-2H3,(H,22,27)(H,23,26).
What are the key properties of 1-ethyl-4-[(4-ethylbenzoyl)amino]-N-phenylpyrazole-3-carboxamide?
1-ethyl-4-[(4-ethylbenzoyl)amino]-N-phenylpyrazole-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(4-ethylbenzoyl)amino]-N-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 19404758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).