2-ethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine

C12H21N3 — CID 62403355

IUPAC2-ethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine
SMILESCCC1CCCCC1NCc1cn[nH]c1
InChIInChI=1S/C12H21N3/c1-2-11-5-3-4-6-12(11)13-7-10-8-14-15-9-10/h8-9,11-13H,2-7H2,1H3,(H,14,15)
InChIKeyFGGZEOJMXMYKDA-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.47
Rot. Bonds4

About 2-ethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine

2-ethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine (PubChem CID 62403355) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-ethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine
PubChem CID62403355
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-ethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine
SMILESCCC1CCCCC1NCc1cn[nH]c1
InChIInChI=1S/C12H21N3/c1-2-11-5-3-4-6-12(11)13-7-10-8-14-15-9-10/h8-9,11-13H,2-7H2,1H3,(H,14,15)
InChIKeyFGGZEOJMXMYKDA-UHFFFAOYSA-N
XLogP2.47
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclopentan-1-amine
CID 130992265
2-phenyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine
CID 54897003
N-benzyl-2-ethylcyclohexan-1-amine
CID 43434056
N-[(3,5-dimethylphenyl)methyl]-2-ethylcyclohexan-1-amine
CID 55200279
N-[(4-cyclopropylphenyl)methyl]-2-ethylcyclohexan-1-amine
CID 79979070
2-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentan-1-amine
CID 106209280
4-[[(2-ethylcyclohexyl)amino]methyl]benzonitrile
CID 43709316
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-ethylcyclohexan-1-amine
CID 43709373
2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 43434136
1-ethyl-N-(1H-pyrazol-4-ylmethyl)azepan-4-amine
CID 65073278
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-ethylcyclohexan-1-amine
CID 104878566
N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine
CID 115691314

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-ethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine (CID 62403355) is 2-ethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-ethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-ethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine is CCC1CCCCC1NCc1cn[nH]c1.
What is the InChIKey of 2-ethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine?
The InChIKey is FGGZEOJMXMYKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-11-5-3-4-6-12(11)13-7-10-8-14-15-9-10/h8-9,11-13H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-ethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine?
2-ethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 62403355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).