3-(4-chloro-1-ethylpyrazol-5-yl)cyclohexan-1-amine

C11H18ClN3 — CID 114663810

IUPAC3-(4-chloro-1-ethylpyrazol-5-yl)cyclohexan-1-amine
SMILESCCn1ncc(Cl)c1C1CCCC(N)C1
InChIInChI=1S/C11H18ClN3/c1-2-15-11(10(12)7-14-15)8-4-3-5-9(13)6-8/h7-9H,2-6,13H2,1H3
InChIKeyCNSDEGFINAVDQT-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.54
Rot. Bonds2

About 3-(4-chloro-1-ethylpyrazol-5-yl)cyclohexan-1-amine

3-(4-chloro-1-ethylpyrazol-5-yl)cyclohexan-1-amine (PubChem CID 114663810) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 3-(4-chloro-1-ethylpyrazol-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-1-ethylpyrazol-5-yl)cyclohexan-1-amine
PubChem CID114663810
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name3-(4-chloro-1-ethylpyrazol-5-yl)cyclohexan-1-amine
SMILESCCn1ncc(Cl)c1C1CCCC(N)C1
InChIInChI=1S/C11H18ClN3/c1-2-15-11(10(12)7-14-15)8-4-3-5-9(13)6-8/h7-9H,2-6,13H2,1H3
InChIKeyCNSDEGFINAVDQT-UHFFFAOYSA-N
XLogP2.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclobutyl-1-ethylpyrazol-4-ol
CID 105433092
5-(3-chlorocyclohexyl)-1-ethyl-4-methoxypyrazole
CID 114665227
5-(3-bromocyclopentyl)-4-chloro-1-propylpyrazole
CID 114665372
2-(4-chloro-1-ethylpyrazol-5-yl)azepane
CID 114663189
(3-aminocyclohexyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114669155
4-chloro-5-(3-chlorocycloheptyl)-1-(2-methoxyethyl)pyrazole
CID 114665250
3-(4-chloro-1-propylpyrazol-5-yl)-N-methylcyclopentan-1-amine
CID 114664094
4-chloro-5-(3-chlorocyclohexyl)-1-methylpyrazole
CID 114665220
N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine
CID 114667254
N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cycloheptyl]methyl]cyclopropanamine
CID 114667373
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclopentylethyl]hydrazine
CID 105336401
1-(5-cyclopentyl-1-ethylpyrazol-4-yl)propan-2-amine
CID 105478345

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1-ethylpyrazol-5-yl)cyclohexan-1-amine?
The IUPAC name of 3-(4-chloro-1-ethylpyrazol-5-yl)cyclohexan-1-amine (CID 114663810) is 3-(4-chloro-1-ethylpyrazol-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-(4-chloro-1-ethylpyrazol-5-yl)cyclohexan-1-amine?
The canonical SMILES for 3-(4-chloro-1-ethylpyrazol-5-yl)cyclohexan-1-amine is CCn1ncc(Cl)c1C1CCCC(N)C1.
What is the InChIKey of 3-(4-chloro-1-ethylpyrazol-5-yl)cyclohexan-1-amine?
The InChIKey is CNSDEGFINAVDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-2-15-11(10(12)7-14-15)8-4-3-5-9(13)6-8/h7-9H,2-6,13H2,1H3.
What are the key properties of 3-(4-chloro-1-ethylpyrazol-5-yl)cyclohexan-1-amine?
3-(4-chloro-1-ethylpyrazol-5-yl)cyclohexan-1-amine has a molecular weight of 227.74 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-ethylpyrazol-5-yl)cyclohexan-1-amine is sourced from PubChem (CID 114663810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).