3-(4-bromophenyl)-N-ethyl-N-phenyl-1H-pyrazole-5-carboxamide

C18H16BrN3O — CID 39584379

IUPAC3-(4-bromophenyl)-N-ethyl-N-phenyl-1H-pyrazole-5-carboxamide
SMILESCCN(C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1ccccc1
InChIInChI=1S/C18H16BrN3O/c1-2-22(15-6-4-3-5-7-15)18(23)17-12-16(20-21-17)13-8-10-14(19)11-9-13/h3-12H,2H2,1H3,(H,20,21)
InChIKeyHJUOKCODAOOHFR-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.51
Rot. Bonds4

About 3-(4-bromophenyl)-N-ethyl-N-phenyl-1H-pyrazole-5-carboxamide

3-(4-bromophenyl)-N-ethyl-N-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 39584379) has the molecular formula C18H16BrN3O and a molecular weight of 370.25 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-ethyl-N-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-ethyl-N-phenyl-1H-pyrazole-5-carboxamide
PubChem CID39584379
Molecular FormulaC18H16BrN3O
Molecular Weight370.25 g/mol
Exact Mass369.05
IUPAC Name3-(4-bromophenyl)-N-ethyl-N-phenyl-1H-pyrazole-5-carboxamide
SMILESCCN(C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1ccccc1
InChIInChI=1S/C18H16BrN3O/c1-2-22(15-6-4-3-5-7-15)18(23)17-12-16(20-21-17)13-8-10-14(19)11-9-13/h3-12H,2H2,1H3,(H,20,21)
InChIKeyHJUOKCODAOOHFR-UHFFFAOYSA-N
XLogP4.51
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromophenyl)-N-methyl-N-(2-methylbutyl)-1H-pyrazole-5-carboxamide
CID 86936191
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 79377189
3-(4-bromophenyl)-N-(1-cyanopropan-2-yl)-N-methyl-1H-pyrazole-5-carboxamide
CID 166193049
N,N-dibenzyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 18870925
2,5-dibromo-N-ethyl-N-phenylbenzamide
CID 53352174
propyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate
CID 35607819
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 39459167
3-(4-bromophenyl)-N-(2-sulfanylethyl)-1H-pyrazole-5-carboxamide
CID 141406980
N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 51046454
N-ethyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 43582677
4-amino-N-ethyl-N-phenyl-1H-pyrrole-2-carboxamide
CID 43642182
N-ethyl-N-phenyl-1H-indole-2-carboxamide
CID 43398536

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-ethyl-N-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-bromophenyl)-N-ethyl-N-phenyl-1H-pyrazole-5-carboxamide (CID 39584379) is 3-(4-bromophenyl)-N-ethyl-N-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-ethyl-N-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-bromophenyl)-N-ethyl-N-phenyl-1H-pyrazole-5-carboxamide is CCN(C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1ccccc1.
What is the InChIKey of 3-(4-bromophenyl)-N-ethyl-N-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is HJUOKCODAOOHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O/c1-2-22(15-6-4-3-5-7-15)18(23)17-12-16(20-21-17)13-8-10-14(19)11-9-13/h3-12H,2H2,1H3,(H,20,21).
What are the key properties of 3-(4-bromophenyl)-N-ethyl-N-phenyl-1H-pyrazole-5-carboxamide?
3-(4-bromophenyl)-N-ethyl-N-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 370.25 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-ethyl-N-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 39584379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).