4-bromo-N-[(2-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide

C15H17Br2N3O — CID 56564229

IUPAC4-bromo-N-[(2-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)N(C)Cc2ccccc2Br)c1Br
InChIInChI=1S/C15H17Br2N3O/c1-9(2)13-12(17)14(19-18-13)15(21)20(3)8-10-6-4-5-7-11(10)16/h4-7,9H,8H2,1-3H3,(H,18,19)
InChIKeyKKUDQIOKEQWJHZ-UHFFFAOYSA-N
MW415.13 g/mol
LogP4.33
Rot. Bonds4

About 4-bromo-N-[(2-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-bromo-N-[(2-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 56564229) has the molecular formula C15H17Br2N3O and a molecular weight of 415.13 g/mol. Its IUPAC name is 4-bromo-N-[(2-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(2-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID56564229
Molecular FormulaC15H17Br2N3O
Molecular Weight415.13 g/mol
Exact Mass412.97
IUPAC Name4-bromo-N-[(2-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)N(C)Cc2ccccc2Br)c1Br
InChIInChI=1S/C15H17Br2N3O/c1-9(2)13-12(17)14(19-18-13)15(21)20(3)8-10-6-4-5-7-11(10)16/h4-7,9H,8H2,1-3H3,(H,18,19)
InChIKeyKKUDQIOKEQWJHZ-UHFFFAOYSA-N
XLogP4.33
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.13
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 111543229
4-bromo-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56562661
N-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide
CID 60630959
3-amino-N-[(2-bromophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64523107
4-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560133
4-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560077
6-amino-N-[(2-bromophenyl)methyl]-3-chloro-N-methylpyridine-2-carboxamide
CID 62160440
N-benzyl-4-bromo-5-propan-2-yl-N-prop-2-enyl-1H-pyrazole-3-carboxamide
CID 56563826
N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 60630835
2-amino-N-[(2-bromophenyl)methyl]-N-methylbenzamide
CID 55028935
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114
[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 16525603

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[(2-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 56564229) is 4-bromo-N-[(2-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[(2-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[(2-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)N(C)Cc2ccccc2Br)c1Br.
What is the InChIKey of 4-bromo-N-[(2-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is KKUDQIOKEQWJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2N3O/c1-9(2)13-12(17)14(19-18-13)15(21)20(3)8-10-6-4-5-7-11(10)16/h4-7,9H,8H2,1-3H3,(H,18,19).
What are the key properties of 4-bromo-N-[(2-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-bromo-N-[(2-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 415.13 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56564229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).