2,2-diethyl-3-(1-methylpyrazol-4-yl)cyclobutan-1-amine

C12H21N3 — CID 81415314

IUPAC2,2-diethyl-3-(1-methylpyrazol-4-yl)cyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1c1cnn(C)c1
InChIInChI=1S/C12H21N3/c1-4-12(5-2)10(6-11(12)13)9-7-14-15(3)8-9/h7-8,10-11H,4-6,13H2,1-3H3
InChIKeyFZMQOHYQROIJID-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.04
Rot. Bonds3

About 2,2-diethyl-3-(1-methylpyrazol-4-yl)cyclobutan-1-amine

2,2-diethyl-3-(1-methylpyrazol-4-yl)cyclobutan-1-amine (PubChem CID 81415314) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2,2-diethyl-3-(1-methylpyrazol-4-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-3-(1-methylpyrazol-4-yl)cyclobutan-1-amine
PubChem CID81415314
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2,2-diethyl-3-(1-methylpyrazol-4-yl)cyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1c1cnn(C)c1
InChIInChI=1S/C12H21N3/c1-4-12(5-2)10(6-11(12)13)9-7-14-15(3)8-9/h7-8,10-11H,4-6,13H2,1-3H3
InChIKeyFZMQOHYQROIJID-UHFFFAOYSA-N
XLogP2.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diethyl-3-(2-methylpyrazol-3-yl)cyclobutan-1-amine
CID 106759062
3-(3,5-dimethylphenyl)-2,2-diethylcyclobutan-1-amine
CID 81415787
2,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine
CID 81416147
2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)-N-propylcyclobutan-1-amine
CID 81418267
1-methyl-5-(1-methylpyrazol-4-yl)piperidin-3-amine
CID 82400810
2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexan-1-amine
CID 81014075
[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol
CID 95004042
[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol
CID 95004048
4-(2-butan-2-yl-3-methylcyclopropyl)-1-methylpyrazole
CID 166809103
1-methyl-4-[(2R)-oxiran-2-yl]pyrazole
CID 83129463
(3R)-7,7-difluoro-3-(1-methylpyrazol-4-yl)-2-azaspiro[3.5]nonane
CID 125457899
2-(1-methylpyrazol-4-yl)-N-propan-2-ylcyclopropan-1-amine
CID 146260881

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-(1-methylpyrazol-4-yl)cyclobutan-1-amine?
The IUPAC name of 2,2-diethyl-3-(1-methylpyrazol-4-yl)cyclobutan-1-amine (CID 81415314) is 2,2-diethyl-3-(1-methylpyrazol-4-yl)cyclobutan-1-amine.
What is the SMILES notation for 2,2-diethyl-3-(1-methylpyrazol-4-yl)cyclobutan-1-amine?
The canonical SMILES for 2,2-diethyl-3-(1-methylpyrazol-4-yl)cyclobutan-1-amine is CCC1(CC)C(N)CC1c1cnn(C)c1.
What is the InChIKey of 2,2-diethyl-3-(1-methylpyrazol-4-yl)cyclobutan-1-amine?
The InChIKey is FZMQOHYQROIJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-12(5-2)10(6-11(12)13)9-7-14-15(3)8-9/h7-8,10-11H,4-6,13H2,1-3H3.
What are the key properties of 2,2-diethyl-3-(1-methylpyrazol-4-yl)cyclobutan-1-amine?
2,2-diethyl-3-(1-methylpyrazol-4-yl)cyclobutan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-(1-methylpyrazol-4-yl)cyclobutan-1-amine is sourced from PubChem (CID 81415314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).