N-(3-amino-2,2-dimethylpropyl)-3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide

C15H28N4O — CID 119656119

IUPACN-(3-amino-2,2-dimethylpropyl)-3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1cc(C(C)(C)C)nn1C
InChIInChI=1S/C15H28N4O/c1-14(2,3)12-8-11(19(7)17-12)13(20)18(6)10-15(4,5)9-16/h8H,9-10,16H2,1-7H3
InChIKeyKKBOAPZMJBRGRW-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.77
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide

N-(3-amino-2,2-dimethylpropyl)-3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 119656119) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide
PubChem CID119656119
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1cc(C(C)(C)C)nn1C
InChIInChI=1S/C15H28N4O/c1-14(2,3)12-8-11(19(7)17-12)13(20)18(6)10-15(4,5)9-16/h8H,9-10,16H2,1-7H3
InChIKeyKKBOAPZMJBRGRW-UHFFFAOYSA-N
XLogP1.77
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-N-[(3,4-dichlorophenyl)methyl]-N,1-dimethylpyrazole-5-carboxamide
CID 78893100
N-(2-aminoethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 119384846
N-(3-amino-2,2-dimethylpropyl)-4-bromo-N,1-dimethylpyrrole-2-carboxamide
CID 79652794
N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N,1-dimethylpyrazole-3-carboxamide
CID 114255127
1-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119235877
3-tert-butyl-N-[(3-cyanophenyl)methyl]-N,1-dimethylpyrazole-5-carboxamide
CID 87015986
N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 119653220
3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide
CID 70247409
3-(3-tert-butyl-1-methylpyrazol-5-yl)-3-oxopropanoic acid
CID 170887044
N-(3-amino-2,2-dimethylpropyl)-4-bromo-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 79652985
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119656984
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide (CID 119656119) is N-(3-amino-2,2-dimethylpropyl)-3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide is CN(CC(C)(C)CN)C(=O)c1cc(C(C)(C)C)nn1C.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is KKBOAPZMJBRGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-14(2,3)12-8-11(19(7)17-12)13(20)18(6)10-15(4,5)9-16/h8H,9-10,16H2,1-7H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 280.42 g/mol, XLogP of 1.77, 4 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)-3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 119656119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).