1-(2,5-dimethylpyrazol-3-yl)-N,3-dimethylbutan-1-amine

C11H21N3 — CID 112709780

IUPAC1-(2,5-dimethylpyrazol-3-yl)-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)C)c1cc(C)nn1C
InChIInChI=1S/C11H21N3/c1-8(2)6-10(12-4)11-7-9(3)13-14(11)5/h7-8,10,12H,6H2,1-5H3
InChIKeyNAYUFOKPRWIRJC-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.04
Rot. Bonds4

About 1-(2,5-dimethylpyrazol-3-yl)-N,3-dimethylbutan-1-amine

1-(2,5-dimethylpyrazol-3-yl)-N,3-dimethylbutan-1-amine (PubChem CID 112709780) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-N,3-dimethylbutan-1-amine
PubChem CID112709780
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)C)c1cc(C)nn1C
InChIInChI=1S/C11H21N3/c1-8(2)6-10(12-4)11-7-9(3)13-14(11)5/h7-8,10,12H,6H2,1-5H3
InChIKeyNAYUFOKPRWIRJC-UHFFFAOYSA-N
XLogP2.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dimethylpyrazol-3-yl)-N,3-dimethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-N-methylpentan-1-amine
CID 105125646
1-(2,5-dimethylpyrazol-3-yl)-N-methylheptan-1-amine
CID 105126365
1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-N-methylbutan-1-amine
CID 105190294
3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 105157885
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 105180408
3-cyclohexyl-1-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 114192965
1-(2,5-dimethylpyrazol-3-yl)-5-methylhexan-1-ol
CID 105122769
2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 105190505
1-(1,3-diethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine
CID 105082907
[1-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105313929
1-(2,5-dimethylpyrazol-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065432
[2-cyclopentyl-1-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105299111

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N,3-dimethylbutan-1-amine (CID 112709780) is 1-(2,5-dimethylpyrazol-3-yl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-N,3-dimethylbutan-1-amine is CNC(CC(C)C)c1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-N,3-dimethylbutan-1-amine?
The InChIKey is NAYUFOKPRWIRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-8(2)6-10(12-4)11-7-9(3)13-14(11)5/h7-8,10,12H,6H2,1-5H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-N,3-dimethylbutan-1-amine?
1-(2,5-dimethylpyrazol-3-yl)-N,3-dimethylbutan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 112709780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).