N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine

C11H21N3 — CID 62562787

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine
SMILESCCC(C)NCCn1nc(C)cc1C
InChIInChI=1S/C11H21N3/c1-5-9(2)12-6-7-14-11(4)8-10(3)13-14/h8-9,12H,5-7H2,1-4H3
InChIKeyFCQKGVNQFBWYCY-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.89
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine (PubChem CID 62562787) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine
PubChem CID62562787
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine
SMILESCCC(C)NCCn1nc(C)cc1C
InChIInChI=1S/C11H21N3/c1-5-9(2)12-6-7-14-11(4)8-10(3)13-14/h8-9,12H,5-7H2,1-4H3
InChIKeyFCQKGVNQFBWYCY-UHFFFAOYSA-N
XLogP1.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine
CID 122626197
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazol-1-ylpropan-2-amine
CID 131935574
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine
CID 115706653
3,5-dimethyl-1-(3-methylbutyl)pyrazole
CID 59748002
1-cyclobutyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propan-2-amine
CID 115706636
methyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]butanoate
CID 115977434
(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propan-2-amine
CID 125445317
6-(3,5-dimethylpyrazol-1-yl)-N-ethylhexan-3-amine
CID 106800211
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-methylphenyl)propan-1-amine
CID 115706617
1-cyclopropyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propan-1-amine
CID 115706698
N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine
CID 62565845
1-ethyl-3,5-dimethylpyrazole
CID 565993

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine (CID 62562787) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine is CCC(C)NCCn1nc(C)cc1C.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine?
The InChIKey is FCQKGVNQFBWYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-9(2)12-6-7-14-11(4)8-10(3)13-14/h8-9,12H,5-7H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine is sourced from PubChem (CID 62562787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).