1-benzyl-N-(2-bromophenyl)-5-ethylpyrazole-4-carboxamide

C19H18BrN3O — CID 78874152

IUPAC1-benzyl-N-(2-bromophenyl)-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccccc2Br)cnn1Cc1ccccc1
InChIInChI=1S/C19H18BrN3O/c1-2-18-15(19(24)22-17-11-7-6-10-16(17)20)12-21-23(18)13-14-8-4-3-5-9-14/h3-12H,2,13H2,1H3,(H,22,24)
InChIKeyFCMVTRQEZQGSSF-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.51
Rot. Bonds5

About 1-benzyl-N-(2-bromophenyl)-5-ethylpyrazole-4-carboxamide

1-benzyl-N-(2-bromophenyl)-5-ethylpyrazole-4-carboxamide (PubChem CID 78874152) has the molecular formula C19H18BrN3O and a molecular weight of 384.28 g/mol. Its IUPAC name is 1-benzyl-N-(2-bromophenyl)-5-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-bromophenyl)-5-ethylpyrazole-4-carboxamide
PubChem CID78874152
Molecular FormulaC19H18BrN3O
Molecular Weight384.28 g/mol
Exact Mass383.06
IUPAC Name1-benzyl-N-(2-bromophenyl)-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccccc2Br)cnn1Cc1ccccc1
InChIInChI=1S/C19H18BrN3O/c1-2-18-15(19(24)22-17-11-7-6-10-16(17)20)12-21-23(18)13-14-8-4-3-5-9-14/h3-12H,2,13H2,1H3,(H,22,24)
InChIKeyFCMVTRQEZQGSSF-UHFFFAOYSA-N
XLogP4.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 78874158
1-benzyl-5-ethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 78873630
methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate
CID 78890376
1-benzyl-5-ethyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 78887495
1-benzyl-5-ethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78873764
1-benzyl-5-ethyl-N-(1-hydroxypropan-2-yl)pyrazole-4-carboxamide
CID 110890160
3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid
CID 119347896
1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
CID 78874188
1-benzyl-5-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide
CID 78873186
N-(3-acetamido-4-methoxyphenyl)-1-benzyl-5-ethylpyrazole-4-carboxamide
CID 78873610
1-benzyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-5-ethylpyrazole-4-carboxamide
CID 78873511
1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide
CID 78873047

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-bromophenyl)-5-ethylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(2-bromophenyl)-5-ethylpyrazole-4-carboxamide (CID 78874152) is 1-benzyl-N-(2-bromophenyl)-5-ethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-bromophenyl)-5-ethylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-bromophenyl)-5-ethylpyrazole-4-carboxamide is CCc1c(C(=O)Nc2ccccc2Br)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(2-bromophenyl)-5-ethylpyrazole-4-carboxamide?
The InChIKey is FCMVTRQEZQGSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O/c1-2-18-15(19(24)22-17-11-7-6-10-16(17)20)12-21-23(18)13-14-8-4-3-5-9-14/h3-12H,2,13H2,1H3,(H,22,24).
What are the key properties of 1-benzyl-N-(2-bromophenyl)-5-ethylpyrazole-4-carboxamide?
1-benzyl-N-(2-bromophenyl)-5-ethylpyrazole-4-carboxamide has a molecular weight of 384.28 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-bromophenyl)-5-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 78874152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).