N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide

C17H23BrN4O — CID 119607007

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)(CN)C(C)C)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C17H23BrN4O/c1-11(2)17(4,10-19)21-16(23)15-9-20-22(12(15)3)14-7-5-13(18)6-8-14/h5-9,11H,10,19H2,1-4H3,(H,21,23)
InChIKeyDEQFBKAIMSUDIP-UHFFFAOYSA-N
MW379.30 g/mol
LogP3.05
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide

N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 119607007) has the molecular formula C17H23BrN4O and a molecular weight of 379.30 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID119607007
Molecular FormulaC17H23BrN4O
Molecular Weight379.30 g/mol
Exact Mass378.11
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)(CN)C(C)C)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C17H23BrN4O/c1-11(2)17(4,10-19)21-16(23)15-9-20-22(12(15)3)14-7-5-13(18)6-8-14/h5-9,11H,10,19H2,1-4H3,(H,21,23)
InChIKeyDEQFBKAIMSUDIP-UHFFFAOYSA-N
XLogP3.05
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(4-bromophenyl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride
CID 120830367
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1-(4-bromophenyl)-5-methyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 32693366
1-(4-bromophenyl)-5-methyl-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 55892348
N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-chlorobenzamide
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CID 60572248
1-(4-bromophenyl)-5-methyl-N-[2-(5-methylpyrimidin-2-yl)ethyl]pyrazole-4-carboxamide
CID 71907675
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride
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1-(4-fluorophenyl)-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide (CID 119607007) is N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)NC(C)(CN)C(C)C)cnn1-c1ccc(Br)cc1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is DEQFBKAIMSUDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN4O/c1-11(2)17(4,10-19)21-16(23)15-9-20-22(12(15)3)14-7-5-13(18)6-8-14/h5-9,11H,10,19H2,1-4H3,(H,21,23).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 379.30 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 119607007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).