N-[2-[(3-bromobenzoyl)amino]ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide

C19H16BrFN4O2 — CID 60614966

IUPACN-[2-[(3-bromobenzoyl)amino]ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
SMILESO=C(NCCNC(=O)c1ccn(-c2ccccc2F)n1)c1cccc(Br)c1
InChIInChI=1S/C19H16BrFN4O2/c20-14-5-3-4-13(12-14)18(26)22-9-10-23-19(27)16-8-11-25(24-16)17-7-2-1-6-15(17)21/h1-8,11-12H,9-10H2,(H,22,26)(H,23,27)
InChIKeyQPYFQZCKDQTGRG-UHFFFAOYSA-N
MW431.27 g/mol
LogP2.93
Rot. Bonds6

About N-[2-[(3-bromobenzoyl)amino]ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide

N-[2-[(3-bromobenzoyl)amino]ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 60614966) has the molecular formula C19H16BrFN4O2 and a molecular weight of 431.27 g/mol. Its IUPAC name is N-[2-[(3-bromobenzoyl)amino]ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-bromobenzoyl)amino]ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
PubChem CID60614966
Molecular FormulaC19H16BrFN4O2
Molecular Weight431.27 g/mol
Exact Mass430.04
IUPAC NameN-[2-[(3-bromobenzoyl)amino]ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
SMILESO=C(NCCNC(=O)c1ccn(-c2ccccc2F)n1)c1cccc(Br)c1
InChIInChI=1S/C19H16BrFN4O2/c20-14-5-3-4-13(12-14)18(26)22-9-10-23-19(27)16-8-11-25(24-16)17-7-2-1-6-15(17)21/h1-8,11-12H,9-10H2,(H,22,26)(H,23,27)
InChIKeyQPYFQZCKDQTGRG-UHFFFAOYSA-N
XLogP2.93
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.27
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 78869937
6-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid
CID 119219679
1-(2-fluorophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide
CID 120827733
1-(2-fluorophenyl)-N-(4-hydroxy-2-methylpentyl)pyrazole-3-carboxamide
CID 111447765
1-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]pyrazole-3-carboxamide
CID 110910871
2-[2-[(3-bromobenzoyl)amino]ethylcarbamoyl]benzoic acid
CID 113083357
N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55648066
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55652048
N-(3-aminobutyl)-1-(3-bromophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119499693
1-(2-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
CID 111480425
3-bromo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537613
N-[(3-bromophenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 55651159

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-bromobenzoyl)amino]ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[2-[(3-bromobenzoyl)amino]ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide (CID 60614966) is N-[2-[(3-bromobenzoyl)amino]ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[(3-bromobenzoyl)amino]ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[2-[(3-bromobenzoyl)amino]ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide is O=C(NCCNC(=O)c1ccn(-c2ccccc2F)n1)c1cccc(Br)c1.
What is the InChIKey of N-[2-[(3-bromobenzoyl)amino]ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is QPYFQZCKDQTGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrFN4O2/c20-14-5-3-4-13(12-14)18(26)22-9-10-23-19(27)16-8-11-25(24-16)17-7-2-1-6-15(17)21/h1-8,11-12H,9-10H2,(H,22,26)(H,23,27).
What are the key properties of N-[2-[(3-bromobenzoyl)amino]ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide?
N-[2-[(3-bromobenzoyl)amino]ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 431.27 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-bromobenzoyl)amino]ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 60614966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).