N-(3-amino-2,2-dimethylpropyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide

C14H26N4O — CID 79668480

IUPACN-(3-amino-2,2-dimethylpropyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide
SMILESCCN(CC(C)(C)CN)C(=O)c1cc(C)nn1CC
InChIInChI=1S/C14H26N4O/c1-6-17(10-14(4,5)9-15)13(19)12-8-11(3)16-18(12)7-2/h8H,6-7,9-10,15H2,1-5H3
InChIKeyVVCFLKFNJBPMDZ-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.66
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide

N-(3-amino-2,2-dimethylpropyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide (PubChem CID 79668480) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide
PubChem CID79668480
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide
SMILESCCN(CC(C)(C)CN)C(=O)c1cc(C)nn1CC
InChIInChI=1S/C14H26N4O/c1-6-17(10-14(4,5)9-15)13(19)12-8-11(3)16-18(12)7-2/h8H,6-7,9-10,15H2,1-5H3
InChIKeyVVCFLKFNJBPMDZ-UHFFFAOYSA-N
XLogP1.66
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-hydroxyiminoethyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide
CID 77113193
2-ethyl-5-methyl-N,N-bis(3-methylbutyl)pyrazole-3-carboxamide
CID 60619942
N-(5-aminopentyl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 107206783
N-butyl-2-ethyl-N-(2-hydroxyethyl)-5-methylpyrazole-3-carboxamide
CID 66120277
N-(3-amino-3-oxopropyl)-N-benzyl-2-ethyl-5-methylpyrazole-3-carboxamide
CID 60619816
2-ethyl-N,5-dimethyl-N-propan-2-ylsulfonylpyrazole-3-carboxamide
CID 71859611
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1-methyl-4-nitropyrrole-2-carboxamide
CID 79667578
N-(2-aminoethyl)-N-cyclohexyl-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66122641
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-hydroxybenzamide
CID 79668244
N-[[3-(aminomethyl)phenyl]methyl]-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 66128449
N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 106356975
3-[ethyl-(2-ethyl-5-methylpyrazole-3-carbonyl)amino]butanoic acid
CID 66127193

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide (CID 79668480) is N-(3-amino-2,2-dimethylpropyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide is CCN(CC(C)(C)CN)C(=O)c1cc(C)nn1CC.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is VVCFLKFNJBPMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-17(10-14(4,5)9-15)13(19)12-8-11(3)16-18(12)7-2/h8H,6-7,9-10,15H2,1-5H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide has a molecular weight of 266.39 g/mol, XLogP of 1.66, 6 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)-N,2-diethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 79668480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).