N-(3-amino-2,2-dimethylpropyl)-1-(4-bromophenyl)-N,5-dimethylpyrazole-4-carboxamide

C17H23BrN4O — CID 119654418

IUPACN-(3-amino-2,2-dimethylpropyl)-1-(4-bromophenyl)-N,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)CC(C)(C)CN)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C17H23BrN4O/c1-12-15(16(23)21(4)11-17(2,3)10-19)9-20-22(12)14-7-5-13(18)6-8-14/h5-9H,10-11,19H2,1-4H3
InChIKeyLLPGYXQLLNHPLT-UHFFFAOYSA-N
MW379.30 g/mol
LogP3.00
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-1-(4-bromophenyl)-N,5-dimethylpyrazole-4-carboxamide

N-(3-amino-2,2-dimethylpropyl)-1-(4-bromophenyl)-N,5-dimethylpyrazole-4-carboxamide (PubChem CID 119654418) has the molecular formula C17H23BrN4O and a molecular weight of 379.30 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-1-(4-bromophenyl)-N,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-1-(4-bromophenyl)-N,5-dimethylpyrazole-4-carboxamide
PubChem CID119654418
Molecular FormulaC17H23BrN4O
Molecular Weight379.30 g/mol
Exact Mass378.11
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-1-(4-bromophenyl)-N,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)CC(C)(C)CN)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C17H23BrN4O/c1-12-15(16(23)21(4)11-17(2,3)10-19)9-20-22(12)14-7-5-13(18)6-8-14/h5-9H,10-11,19H2,1-4H3
InChIKeyLLPGYXQLLNHPLT-UHFFFAOYSA-N
XLogP3.00
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 119653761
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119652642
N,5-dimethyl-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 78863932
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
CID 119607007
1-(4-bromophenyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 32655349
N-(3-amino-2,2-dimethylpropyl)-5-cyclopropyl-N-methyl-1-phenylpyrazole-4-carboxamide
CID 119655718
2-[[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]-ethylamino]acetic acid
CID 119206292
1-(4-bromophenyl)-5-methyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 32693366
1-(4-bromophenyl)-N-butyl-N-(2-hydroxyethyl)-5-methylpyrazole-4-carboxamide
CID 78855646
N-(3-amino-2,2-dimethylpropyl)-3-bromo-N,2-dimethylbenzamide
CID 79652685
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride
CID 119653973
N-benzyl-1-(4-bromophenyl)-N-(cyanomethyl)-5-methylpyrazole-4-carboxamide
CID 55864684

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-(4-bromophenyl)-N,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-(4-bromophenyl)-N,5-dimethylpyrazole-4-carboxamide (CID 119654418) is N-(3-amino-2,2-dimethylpropyl)-1-(4-bromophenyl)-N,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-1-(4-bromophenyl)-N,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-1-(4-bromophenyl)-N,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)N(C)CC(C)(C)CN)cnn1-c1ccc(Br)cc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-1-(4-bromophenyl)-N,5-dimethylpyrazole-4-carboxamide?
The InChIKey is LLPGYXQLLNHPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN4O/c1-12-15(16(23)21(4)11-17(2,3)10-19)9-20-22(12)14-7-5-13(18)6-8-14/h5-9H,10-11,19H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-1-(4-bromophenyl)-N,5-dimethylpyrazole-4-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-1-(4-bromophenyl)-N,5-dimethylpyrazole-4-carboxamide has a molecular weight of 379.30 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-1-(4-bromophenyl)-N,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 119654418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).