1-(2-ethylpyrazol-3-yl)azepan-4-amine

C11H20N4 — CID 141313386

IUPAC1-(2-ethylpyrazol-3-yl)azepan-4-amine
SMILESCCn1nccc1N1CCCC(N)CC1
InChIInChI=1S/C11H20N4/c1-2-15-11(5-7-13-15)14-8-3-4-10(12)6-9-14/h5,7,10H,2-4,6,8-9,12H2,1H3
InChIKeyOMMFDQCFRCOAFU-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.22
Rot. Bonds2

About 1-(2-ethylpyrazol-3-yl)azepan-4-amine

1-(2-ethylpyrazol-3-yl)azepan-4-amine (PubChem CID 141313386) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)azepan-4-amine.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)azepan-4-amine
PubChem CID141313386
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-(2-ethylpyrazol-3-yl)azepan-4-amine
SMILESCCn1nccc1N1CCCC(N)CC1
InChIInChI=1S/C11H20N4/c1-2-15-11(5-7-13-15)14-8-3-4-10(12)6-9-14/h5,7,10H,2-4,6,8-9,12H2,1H3
InChIKeyOMMFDQCFRCOAFU-UHFFFAOYSA-N
XLogP1.22
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methyl-1,3-oxazol-2-yl)azepan-4-amine
CID 83484644
N-[(2-ethylpyrazol-3-yl)methyl]-1-methylpiperidin-3-amine
CID 115762067
2-(2-ethylpyrazol-3-yl)cyclopropan-1-amine;dihydrochloride
CID 165453460
cyclooctyl-(2-ethylpyrazol-3-yl)methanamine
CID 80604016
3-(2-ethylpyrazol-3-yl)cyclopent-2-en-1-amine
CID 65174112
[1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]methanamine
CID 120711614
ethane;4-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 142387767
(6S)-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-amine
CID 154021087
4-methyl-1-(2-methylpyrazol-3-yl)piperidine
CID 130250395
1-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrrolidin-3-amine
CID 114557822
[(4R)-4-aminoazepan-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 95721521
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761680

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)azepan-4-amine?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)azepan-4-amine (CID 141313386) is 1-(2-ethylpyrazol-3-yl)azepan-4-amine.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)azepan-4-amine?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)azepan-4-amine is CCn1nccc1N1CCCC(N)CC1.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)azepan-4-amine?
The InChIKey is OMMFDQCFRCOAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-2-15-11(5-7-13-15)14-8-3-4-10(12)6-9-14/h5,7,10H,2-4,6,8-9,12H2,1H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)azepan-4-amine?
1-(2-ethylpyrazol-3-yl)azepan-4-amine has a molecular weight of 208.31 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)azepan-4-amine is sourced from PubChem (CID 141313386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).