2-cyclobutyl-1-(1-ethylpyrazol-4-yl)-N-methylethanamine

C12H21N3 — CID 103168314

IUPAC2-cyclobutyl-1-(1-ethylpyrazol-4-yl)-N-methylethanamine
SMILESCCn1cc(C(CC2CCC2)NC)cn1
InChIInChI=1S/C12H21N3/c1-3-15-9-11(8-14-15)12(13-2)7-10-5-4-6-10/h8-10,12-13H,3-7H2,1-2H3
InChIKeyCQFFPKDTARWPQY-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.35
Rot. Bonds5

About 2-cyclobutyl-1-(1-ethylpyrazol-4-yl)-N-methylethanamine

2-cyclobutyl-1-(1-ethylpyrazol-4-yl)-N-methylethanamine (PubChem CID 103168314) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-cyclobutyl-1-(1-ethylpyrazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclobutyl-1-(1-ethylpyrazol-4-yl)-N-methylethanamine
PubChem CID103168314
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-cyclobutyl-1-(1-ethylpyrazol-4-yl)-N-methylethanamine
SMILESCCn1cc(C(CC2CCC2)NC)cn1
InChIInChI=1S/C12H21N3/c1-3-15-9-11(8-14-15)12(13-2)7-10-5-4-6-10/h8-10,12-13H,3-7H2,1-2H3
InChIKeyCQFFPKDTARWPQY-UHFFFAOYSA-N
XLogP2.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43485883
2-cyclopentyl-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 115807398
2-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethanamine
CID 115816159
1-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65423611
2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-methylpropan-1-amine
CID 115816197
1-(1-ethylpyrazol-4-yl)-N-methylhexan-1-amine
CID 115816258
[1-cyclobutyl-3-(1-ethylpyrazol-4-yl)propan-2-yl]hydrazine
CID 103170429
[1-(1-propylpyrazol-4-yl)-2-(thian-4-yl)ethyl]hydrazine
CID 105288638
1-(1-ethylpyrazol-4-yl)-N-methyldodecan-1-amine
CID 115816091
N-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine
CID 103569652
2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105151678
N-methyl-1-(1-methylpyrazol-4-yl)-2-(oxolan-3-yl)ethanamine
CID 103986903

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(1-ethylpyrazol-4-yl)-N-methylethanamine?
The IUPAC name of 2-cyclobutyl-1-(1-ethylpyrazol-4-yl)-N-methylethanamine (CID 103168314) is 2-cyclobutyl-1-(1-ethylpyrazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-cyclobutyl-1-(1-ethylpyrazol-4-yl)-N-methylethanamine?
The canonical SMILES for 2-cyclobutyl-1-(1-ethylpyrazol-4-yl)-N-methylethanamine is CCn1cc(C(CC2CCC2)NC)cn1.
What is the InChIKey of 2-cyclobutyl-1-(1-ethylpyrazol-4-yl)-N-methylethanamine?
The InChIKey is CQFFPKDTARWPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-15-9-11(8-14-15)12(13-2)7-10-5-4-6-10/h8-10,12-13H,3-7H2,1-2H3.
What are the key properties of 2-cyclobutyl-1-(1-ethylpyrazol-4-yl)-N-methylethanamine?
2-cyclobutyl-1-(1-ethylpyrazol-4-yl)-N-methylethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(1-ethylpyrazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 103168314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).