1-(4-bromophenyl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-5-methylpyrazole-4-carboxamide

C20H19BrN4O3 — CID 60572248

IUPAC1-(4-bromophenyl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCNC(=O)c2ccccc2O)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C20H19BrN4O3/c1-13-17(12-24-25(13)15-8-6-14(21)7-9-15)20(28)23-11-10-22-19(27)16-4-2-3-5-18(16)26/h2-9,12,26H,10-11H2,1H3,(H,22,27)(H,23,28)
InChIKeyPZBYVXOIEQAVSB-UHFFFAOYSA-N
MW443.30 g/mol
LogP2.81
Rot. Bonds6

About 1-(4-bromophenyl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-5-methylpyrazole-4-carboxamide

1-(4-bromophenyl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-5-methylpyrazole-4-carboxamide (PubChem CID 60572248) has the molecular formula C20H19BrN4O3 and a molecular weight of 443.30 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-5-methylpyrazole-4-carboxamide
PubChem CID60572248
Molecular FormulaC20H19BrN4O3
Molecular Weight443.30 g/mol
Exact Mass442.06
IUPAC Name1-(4-bromophenyl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCNC(=O)c2ccccc2O)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C20H19BrN4O3/c1-13-17(12-24-25(13)15-8-6-14(21)7-9-15)20(28)23-11-10-22-19(27)16-4-2-3-5-18(16)26/h2-9,12,26H,10-11H2,1H3,(H,22,27)(H,23,28)
InChIKeyPZBYVXOIEQAVSB-UHFFFAOYSA-N
XLogP2.81
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.30
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-N-(3-methoxypropyl)-5-methylpyrazole-4-carboxamide
CID 32651721
1-(4-bromophenyl)-5-methyl-N-[2-(5-methylpyrimidin-2-yl)ethyl]pyrazole-4-carboxamide
CID 71907675
1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide
CID 32908999
1-(4-bromophenyl)-5-methyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 32693366
1-(4-bromophenyl)-5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 32708087
1-(4-bromophenyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-4-carboxamide
CID 55803274
5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783
1-(4-bromophenyl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride
CID 120830367
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 34317853
1-(4-bromophenyl)-N-(2-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 31777513
1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-methylpyrazole-4-carboxamide
CID 78856717

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-5-methylpyrazole-4-carboxamide (CID 60572248) is 1-(4-bromophenyl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)NCCNC(=O)c2ccccc2O)cnn1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is PZBYVXOIEQAVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O3/c1-13-17(12-24-25(13)15-8-6-14(21)7-9-15)20(28)23-11-10-22-19(27)16-4-2-3-5-18(16)26/h2-9,12,26H,10-11H2,1H3,(H,22,27)(H,23,28).
What are the key properties of 1-(4-bromophenyl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-5-methylpyrazole-4-carboxamide?
1-(4-bromophenyl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 443.30 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 60572248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).