5-amino-N,1-dimethyl-N-(3-methylbutyl)pyrazole-4-carboxamide

C11H20N4O — CID 115330507

IUPAC5-amino-N,1-dimethyl-N-(3-methylbutyl)pyrazole-4-carboxamide
SMILESCC(C)CCN(C)C(=O)c1cnn(C)c1N
InChIInChI=1S/C11H20N4O/c1-8(2)5-6-14(3)11(16)9-7-13-15(4)10(9)12/h7-8H,5-6,12H2,1-4H3
InChIKeyFIFIDBAOZROSLB-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.12
Rot. Bonds4

About 5-amino-N,1-dimethyl-N-(3-methylbutyl)pyrazole-4-carboxamide

5-amino-N,1-dimethyl-N-(3-methylbutyl)pyrazole-4-carboxamide (PubChem CID 115330507) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 5-amino-N,1-dimethyl-N-(3-methylbutyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N,1-dimethyl-N-(3-methylbutyl)pyrazole-4-carboxamide
PubChem CID115330507
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name5-amino-N,1-dimethyl-N-(3-methylbutyl)pyrazole-4-carboxamide
SMILESCC(C)CCN(C)C(=O)c1cnn(C)c1N
InChIInChI=1S/C11H20N4O/c1-8(2)5-6-14(3)11(16)9-7-13-15(4)10(9)12/h7-8H,5-6,12H2,1-4H3
InChIKeyFIFIDBAOZROSLB-UHFFFAOYSA-N
XLogP1.12
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N,1-dimethyl-N-(2-methylsulfanylethyl)pyrazole-4-carboxamide
CID 112663204
5-amino-N,1-dimethyl-N-pentan-2-ylpyrazole-4-carboxamide
CID 115330445
5-amino-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazole-4-carboxamide
CID 115330996
5-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
CID 113288547
5-amino-N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 115330494
4-amino-1-ethyl-N-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide
CID 65357697
5-amino-N-[2-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide
CID 115330694
2-amino-5-bromo-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 114193918
N-(2-hydroxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide
CID 62333069
2-amino-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62185668
5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylpyrazole-4-carboxamide
CID 115330529
5-amino-N-[5-(diethylamino)pentan-2-yl]-1-methylpyrazole-4-carboxamide
CID 115330341

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,1-dimethyl-N-(3-methylbutyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N,1-dimethyl-N-(3-methylbutyl)pyrazole-4-carboxamide (CID 115330507) is 5-amino-N,1-dimethyl-N-(3-methylbutyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N,1-dimethyl-N-(3-methylbutyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N,1-dimethyl-N-(3-methylbutyl)pyrazole-4-carboxamide is CC(C)CCN(C)C(=O)c1cnn(C)c1N.
What is the InChIKey of 5-amino-N,1-dimethyl-N-(3-methylbutyl)pyrazole-4-carboxamide?
The InChIKey is FIFIDBAOZROSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)5-6-14(3)11(16)9-7-13-15(4)10(9)12/h7-8H,5-6,12H2,1-4H3.
What are the key properties of 5-amino-N,1-dimethyl-N-(3-methylbutyl)pyrazole-4-carboxamide?
5-amino-N,1-dimethyl-N-(3-methylbutyl)pyrazole-4-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,1-dimethyl-N-(3-methylbutyl)pyrazole-4-carboxamide is sourced from PubChem (CID 115330507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).