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

C13H23N3 — CID 103905316

IUPAC3-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
SMILESCCC1CCCC(NC(C)c2cn[nH]c2)C1
InChIInChI=1S/C13H23N3/c1-3-11-5-4-6-13(7-11)16-10(2)12-8-14-15-9-12/h8-11,13,16H,3-7H2,1-2H3,(H,14,15)
InChIKeyDXXIAVOWPLKXML-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.03
Rot. Bonds4

About 3-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine

3-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine (PubChem CID 103905316) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
PubChem CID103905316
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
SMILESCCC1CCCC(NC(C)c2cn[nH]c2)C1
InChIInChI=1S/C13H23N3/c1-3-11-5-4-6-13(7-11)16-10(2)12-8-14-15-9-12/h8-11,13,16H,3-7H2,1-2H3,(H,14,15)
InChIKeyDXXIAVOWPLKXML-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

4-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 103905109
3-ethyl-N-[1-(4-iodophenyl)ethyl]cyclohexan-1-amine
CID 64742976
2-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentan-1-amine
CID 106209280
3-ethyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81371165
3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 103922095
N-[(3-methylcyclohexyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 103884007
1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidin-4-amine
CID 103905191
3-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclopentan-1-amine
CID 81349259
1-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]thian-4-amine
CID 106209325
3-ethyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine
CID 81405604
5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiolan-3-amine
CID 106209176
4-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cycloheptan-1-amine
CID 81407640

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine (CID 103905316) is 3-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine is CCC1CCCC(NC(C)c2cn[nH]c2)C1.
What is the InChIKey of 3-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine?
The InChIKey is DXXIAVOWPLKXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-11-5-4-6-13(7-11)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 3-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine?
3-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 3-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 103905316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).