N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutan-1-amine

C12H23N3 — CID 115887925

IUPACN-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutan-1-amine
SMILESCCC(C)CNCCc1cnn(C)c1C
InChIInChI=1S/C12H23N3/c1-5-10(2)8-13-7-6-12-9-14-15(4)11(12)3/h9-10,13H,5-8H2,1-4H3
InChIKeyQOJKGRMDGQVFPK-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.91
Rot. Bonds6

About N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutan-1-amine

N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutan-1-amine (PubChem CID 115887925) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutan-1-amine
PubChem CID115887925
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutan-1-amine
SMILESCCC(C)CNCCc1cnn(C)c1C
InChIInChI=1S/C12H23N3/c1-5-10(2)8-13-7-6-12-9-14-15(4)11(12)3/h9-10,13H,5-8H2,1-4H3
InChIKeyQOJKGRMDGQVFPK-UHFFFAOYSA-N
XLogP1.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 818472
4-((1-methyl-1H-pyrazol-5-yl)methyl)piperidine
CID 63961604
1,3-dimethyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 71695428
(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylamine
CID 578961
(5-methyl-1-(2-methylpropyl)-1H-pyrazol-4-yl)methanamine
CID 60866655
1-(1,3-dimethyl-1H-pyrazol-4-yl)ethan-1-amine
CID 6483877
(1-ethyl-5-methyl-1H-pyrazol-4-yl)methanamine
CID 7022221
[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 7022224
((1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl)(methyl)amine
CID 7175814
1-(1,5-Dimethyl-1H-pyrazol-4-yl)ethan-1-amine
CID 17024833
1-(1,3-dimethyl-1H-pyrazol-4-yl)propan-2-amine
CID 19585896
2-methyl-2H,4H,5H,6H,7H-pyrazolo(4,3-c)pyridine dihydrochloride
CID 45789686

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutan-1-amine?
The IUPAC name of N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutan-1-amine (CID 115887925) is N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutan-1-amine?
The canonical SMILES for N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutan-1-amine is CCC(C)CNCCc1cnn(C)c1C.
What is the InChIKey of N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutan-1-amine?
The InChIKey is QOJKGRMDGQVFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-10(2)8-13-7-6-12-9-14-15(4)11(12)3/h9-10,13H,5-8H2,1-4H3.
What are the key properties of N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutan-1-amine?
N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutan-1-amine is sourced from PubChem (CID 115887925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).