5-[(2-bromobenzoyl)amino]-1-phenyl-N-prop-2-enylpyrazole-4-carboxamide

C20H17BrN4O2 — CID 2251780

IUPAC5-[(2-bromobenzoyl)amino]-1-phenyl-N-prop-2-enylpyrazole-4-carboxamide
SMILESC=CCNC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1Br
InChIInChI=1S/C20H17BrN4O2/c1-2-12-22-19(26)16-13-23-25(14-8-4-3-5-9-14)18(16)24-20(27)15-10-6-7-11-17(15)21/h2-11,13H,1,12H2,(H,22,26)(H,24,27)
InChIKeyKARCFMMDMYJDRY-UHFFFAOYSA-N
MW425.29 g/mol
LogP3.80
Rot. Bonds6

About 5-[(2-bromobenzoyl)amino]-1-phenyl-N-prop-2-enylpyrazole-4-carboxamide

5-[(2-bromobenzoyl)amino]-1-phenyl-N-prop-2-enylpyrazole-4-carboxamide (PubChem CID 2251780) has the molecular formula C20H17BrN4O2 and a molecular weight of 425.29 g/mol. Its IUPAC name is 5-[(2-bromobenzoyl)amino]-1-phenyl-N-prop-2-enylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(2-bromobenzoyl)amino]-1-phenyl-N-prop-2-enylpyrazole-4-carboxamide
PubChem CID2251780
Molecular FormulaC20H17BrN4O2
Molecular Weight425.29 g/mol
Exact Mass424.05
IUPAC Name5-[(2-bromobenzoyl)amino]-1-phenyl-N-prop-2-enylpyrazole-4-carboxamide
SMILESC=CCNC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1Br
InChIInChI=1S/C20H17BrN4O2/c1-2-12-22-19(26)16-13-23-25(14-8-4-3-5-9-14)18(16)24-20(27)15-10-6-7-11-17(15)21/h2-11,13H,1,12H2,(H,22,26)(H,24,27)
InChIKeyKARCFMMDMYJDRY-UHFFFAOYSA-N
XLogP3.80
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.29
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

SR-318
CID 139030333
5-amino-N-((4-(((2S)-1-amino-4-cyclohexyl-1-oxobutan-2-yl)carbamoyl)phenyl)methyl)-1-phenylpyrazole-4-carboxamide
CID 121232441
N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]benzamide
CID 135869416
5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(ethylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
CID 146019271
N-(4-cyano-1-phenylpyrazol-5-yl)(2-fluorophenyl)carboxamide
CID 722799
4-methyl-N-[4-(morpholine-4-carbonyl)-2-phenylpyrazol-3-yl]benzamide
CID 1372063
5-amino-N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 11188019
5-Amino-N-[2-({[(2,6-difluorophenyl)carbonyl]amino}methyl)-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 44570223
5-amino-N-(5-(1-ethyl-1H-pyrazol-5-ylcarbamoyl)-2-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 52941332
5-amino-N-(2-methyl-5-(1-methyl-1H-pyrazol-5-ylcarbamoyl)phenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 52944927
5-amino-N-(2-methyl-5-(methylcarbamoyl)phenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 52946108
N,N-dimethyl-5-[(3-methylbenzoyl)amino]-1-phenyl-1H-pyrazole-4-carboxamide
CID 700633

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromobenzoyl)amino]-1-phenyl-N-prop-2-enylpyrazole-4-carboxamide?
The IUPAC name of 5-[(2-bromobenzoyl)amino]-1-phenyl-N-prop-2-enylpyrazole-4-carboxamide (CID 2251780) is 5-[(2-bromobenzoyl)amino]-1-phenyl-N-prop-2-enylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[(2-bromobenzoyl)amino]-1-phenyl-N-prop-2-enylpyrazole-4-carboxamide?
The canonical SMILES for 5-[(2-bromobenzoyl)amino]-1-phenyl-N-prop-2-enylpyrazole-4-carboxamide is C=CCNC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1Br.
What is the InChIKey of 5-[(2-bromobenzoyl)amino]-1-phenyl-N-prop-2-enylpyrazole-4-carboxamide?
The InChIKey is KARCFMMDMYJDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O2/c1-2-12-22-19(26)16-13-23-25(14-8-4-3-5-9-14)18(16)24-20(27)15-10-6-7-11-17(15)21/h2-11,13H,1,12H2,(H,22,26)(H,24,27).
What are the key properties of 5-[(2-bromobenzoyl)amino]-1-phenyl-N-prop-2-enylpyrazole-4-carboxamide?
5-[(2-bromobenzoyl)amino]-1-phenyl-N-prop-2-enylpyrazole-4-carboxamide has a molecular weight of 425.29 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromobenzoyl)amino]-1-phenyl-N-prop-2-enylpyrazole-4-carboxamide is sourced from PubChem (CID 2251780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).