N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine

C11H21N3 — CID 115898031

IUPACN-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NCC(C)(C)C
InChIInChI=1S/C11H21N3/c1-6-9-10(7-14(5)13-9)12-8-11(2,3)4/h7,12H,6,8H2,1-5H3
InChIKeyYMNYIJOYSFOLIJ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.44
Rot. Bonds3

About N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine

N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine (PubChem CID 115898031) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
PubChem CID115898031
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NCC(C)(C)C
InChIInChI=1S/C11H21N3/c1-6-9-10(7-14(5)13-9)12-8-11(2,3)4/h7,12H,6,8H2,1-5H3
InChIKeyYMNYIJOYSFOLIJ-UHFFFAOYSA-N
XLogP2.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-methyl-N-pentylpyrazol-4-amine
CID 107462468
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607
4-[(3-ethyl-1-methylpyrazol-4-yl)amino]butan-1-ol
CID 107462832
3-ethyl-1-methyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine
CID 107462626
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-methylacetamide
CID 107462767
3-ethyl-1-methyl-N-[(E)-3-phenylprop-2-enyl]pyrazol-4-amine
CID 103908973
3-ethyl-1-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazol-4-amine
CID 115897990
3-ethyl-1-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-amine
CID 103909014
4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol
CID 107462452
5-[(3-ethyl-1-methylpyrazol-4-yl)amino]pentanenitrile
CID 107462882
3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-4-amine
CID 107462838
3-ethyl-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 103909181

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine (CID 115898031) is N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine is CCc1nn(C)cc1NCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine?
The InChIKey is YMNYIJOYSFOLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-6-9-10(7-14(5)13-9)12-8-11(2,3)4/h7,12H,6,8H2,1-5H3.
What are the key properties of N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine?
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine has a molecular weight of 195.31 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine is sourced from PubChem (CID 115898031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).