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

C11H18ClN3 — CID 84791977

IUPAC1-(5-chloro-1-ethylpyrazol-4-yl)cyclohexan-1-amine
SMILESCCn1ncc(C2(N)CCCCC2)c1Cl
InChIInChI=1S/C11H18ClN3/c1-2-15-10(12)9(8-14-15)11(13)6-4-3-5-7-11/h8H,2-7,13H2,1H3
InChIKeyGKUJZSMPDVWEQO-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.67
Rot. Bonds2

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

1-(5-chloro-1-ethylpyrazol-4-yl)cyclohexan-1-amine (PubChem CID 84791977) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 1-(5-chloro-1-ethylpyrazol-4-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-1-ethylpyrazol-4-yl)cyclohexan-1-amine
PubChem CID84791977
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name1-(5-chloro-1-ethylpyrazol-4-yl)cyclohexan-1-amine
SMILESCCn1ncc(C2(N)CCCCC2)c1Cl
InChIInChI=1S/C11H18ClN3/c1-2-15-10(12)9(8-14-15)11(13)6-4-3-5-7-11/h8H,2-7,13H2,1H3
InChIKeyGKUJZSMPDVWEQO-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-chloro-1-ethylpyrazol-4-yl)ethyl]cyclopropan-1-amine
CID 105467292
(4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine
CID 105040461
(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxycycloheptyl)methanone
CID 114642836
(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxycycloheptyl)methanamine
CID 114662072
2-(5-chloro-1-ethylpyrazol-4-yl)propan-2-amine
CID 84770615
2-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylazepane
CID 114657333
(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
CID 114660625
N-[(5-chloro-1-ethylpyrazol-4-yl)methyl]hydroxylamine
CID 84767030
[(4-chloro-1-ethylpyrazol-5-yl)-(1-ethylcyclopentyl)methyl]hydrazine
CID 105336392
(4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopropyl)methanamine
CID 114658531
1-(5-chloro-1H-pyrazol-4-yl)cyclopentan-1-amine
CID 84769917
(4-chloro-1-ethylpyrazol-5-yl)-(1-phenylcyclopentyl)methanamine
CID 114650869

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-ethylpyrazol-4-yl)cyclohexan-1-amine?
The IUPAC name of 1-(5-chloro-1-ethylpyrazol-4-yl)cyclohexan-1-amine (CID 84791977) is 1-(5-chloro-1-ethylpyrazol-4-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(5-chloro-1-ethylpyrazol-4-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(5-chloro-1-ethylpyrazol-4-yl)cyclohexan-1-amine is CCn1ncc(C2(N)CCCCC2)c1Cl.
What is the InChIKey of 1-(5-chloro-1-ethylpyrazol-4-yl)cyclohexan-1-amine?
The InChIKey is GKUJZSMPDVWEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-2-15-10(12)9(8-14-15)11(13)6-4-3-5-7-11/h8H,2-7,13H2,1H3.
What are the key properties of 1-(5-chloro-1-ethylpyrazol-4-yl)cyclohexan-1-amine?
1-(5-chloro-1-ethylpyrazol-4-yl)cyclohexan-1-amine has a molecular weight of 227.74 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-ethylpyrazol-4-yl)cyclohexan-1-amine is sourced from PubChem (CID 84791977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).