1-(1,3-dimethylpyrazol-4-yl)-N,2-dimethylbutan-1-amine

C11H21N3 — CID 102804208

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N,2-dimethylbutan-1-amine
SMILESCCC(C)C(NC)c1cn(C)nc1C
InChIInChI=1S/C11H21N3/c1-6-8(2)11(12-4)10-7-14(5)13-9(10)3/h7-8,11-12H,6H2,1-5H3
InChIKeyJSJKXYNQVSLPIA-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.04
Rot. Bonds4

About 1-(1,3-dimethylpyrazol-4-yl)-N,2-dimethylbutan-1-amine

1-(1,3-dimethylpyrazol-4-yl)-N,2-dimethylbutan-1-amine (PubChem CID 102804208) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N,2-dimethylbutan-1-amine
PubChem CID102804208
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N,2-dimethylbutan-1-amine
SMILESCCC(C)C(NC)c1cn(C)nc1C
InChIInChI=1S/C11H21N3/c1-6-8(2)11(12-4)10-7-14(5)13-9(10)3/h7-8,11-12H,6H2,1-5H3
InChIKeyJSJKXYNQVSLPIA-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

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-N,2-dimethylbutan-1-amine
CID 102804528
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-methylpentan-1-amine
CID 107893691
[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]azanium
CID 7019316
1-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 83683542
1-(1,3-dimethylpyrazol-4-yl)-N-methoxyethanamine
CID 82706207
2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol
CID 65191852
4-(1-bromopropan-2-yl)-1,3-dimethylpyrazole
CID 66470862
1-(1,3-dimethylpyrazol-4-yl)ethylhydrazine
CID 65196946
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-diethoxyethanamine
CID 79548132
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine
CID 102804358
1-(1,3-dimethylpyrazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104577605
1-(1,3-dimethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine
CID 102803357

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N,2-dimethylbutan-1-amine (CID 102804208) is 1-(1,3-dimethylpyrazol-4-yl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N,2-dimethylbutan-1-amine is CCC(C)C(NC)c1cn(C)nc1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N,2-dimethylbutan-1-amine?
The InChIKey is JSJKXYNQVSLPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-6-8(2)11(12-4)10-7-14(5)13-9(10)3/h7-8,11-12H,6H2,1-5H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N,2-dimethylbutan-1-amine?
1-(1,3-dimethylpyrazol-4-yl)-N,2-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-(1,3-dimethylpyrazol-4-yl)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 102804208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).