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

C18H16BrN3O — CID 46582044

IUPACN-[1-(3-bromophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(-c2ccccc2)c1)c1cccc(Br)c1
InChIInChI=1S/C18H16BrN3O/c1-13(14-6-5-7-16(19)10-14)21-18(23)15-11-20-22(12-15)17-8-3-2-4-9-17/h2-13H,1H3,(H,21,23)
InChIKeyUEJFWSQWVBRIND-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.13
Rot. Bonds4

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

N-[1-(3-bromophenyl)ethyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 46582044) has the molecular formula C18H16BrN3O and a molecular weight of 370.25 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
PubChem CID46582044
Molecular FormulaC18H16BrN3O
Molecular Weight370.25 g/mol
Exact Mass369.05
IUPAC NameN-[1-(3-bromophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(-c2ccccc2)c1)c1cccc(Br)c1
InChIInChI=1S/C18H16BrN3O/c1-13(14-6-5-7-16(19)10-14)21-18(23)15-11-20-22(12-15)17-8-3-2-4-9-17/h2-13H,1H3,(H,21,23)
InChIKeyUEJFWSQWVBRIND-UHFFFAOYSA-N
XLogP4.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 27660239
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide
CID 25343900
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 92538494
(E)-N-[1-(3-bromophenyl)ethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 55576764
N-[1-(3-bromophenyl)ethyl]pyrimidine-5-carboxamide
CID 113434406
N-[1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide
CID 24625573
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide
CID 51646823
4-[1-(3-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 115730206
N-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 50772677
1-(3-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide
CID 119505644
N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
CID 83030878
N-[1-(3-bromophenyl)ethyl]-3-iodobenzamide
CID 63531674

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-1-phenylpyrazole-4-carboxamide (CID 46582044) is N-[1-(3-bromophenyl)ethyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-1-phenylpyrazole-4-carboxamide is CC(NC(=O)c1cnn(-c2ccccc2)c1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is UEJFWSQWVBRIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O/c1-13(14-6-5-7-16(19)10-14)21-18(23)15-11-20-22(12-15)17-8-3-2-4-9-17/h2-13H,1H3,(H,21,23).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-1-phenylpyrazole-4-carboxamide?
N-[1-(3-bromophenyl)ethyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 370.25 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 46582044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).