4-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine

C13H23N3 — CID 103905109

IUPAC4-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
SMILESCCC1CCC(NC(C)c2cn[nH]c2)CC1
InChIInChI=1S/C13H23N3/c1-3-11-4-6-13(7-5-11)16-10(2)12-8-14-15-9-12/h8-11,13,16H,3-7H2,1-2H3,(H,14,15)
InChIKeyPLLDNUCIXCYSRH-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.03
Rot. Bonds4

About 4-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine

4-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine (PubChem CID 103905109) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
PubChem CID103905109
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name4-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
SMILESCCC1CCC(NC(C)c2cn[nH]c2)CC1
InChIInChI=1S/C13H23N3/c1-3-11-4-6-13(7-5-11)16-10(2)12-8-14-15-9-12/h8-11,13,16H,3-7H2,1-2H3,(H,14,15)
InChIKeyPLLDNUCIXCYSRH-UHFFFAOYSA-N
XLogP3.03
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 103905316
1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidin-4-amine
CID 103905191
1-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]thian-4-amine
CID 106209325
2-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentan-1-amine
CID 106209280
3-ethyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine
CID 81405604
3-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclopentan-1-amine
CID 81349259
3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 103922095
N,N-dimethyl-2-[4-[1-(1H-pyrazol-4-yl)ethylamino]piperidin-1-yl]acetamide
CID 103905211
5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiolan-3-amine
CID 106209176
2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]oxan-4-amine
CID 106209442
N-(oxan-4-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine
CID 103854849
N-(4-ethylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 61354875

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine (CID 103905109) is 4-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine is CCC1CCC(NC(C)c2cn[nH]c2)CC1.
What is the InChIKey of 4-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine?
The InChIKey is PLLDNUCIXCYSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-11-4-6-13(7-5-11)16-10(2)12-8-14-15-9-12/h8-11,13,16H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 4-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine?
4-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 103905109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).