[4-ethyl-2-(1-ethylpyrazol-4-yl)cyclohexyl]methanamine

C14H25N3 — CID 81012445

IUPAC[4-ethyl-2-(1-ethylpyrazol-4-yl)cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(c2cnn(CC)c2)C1
InChIInChI=1S/C14H25N3/c1-3-11-5-6-12(8-15)14(7-11)13-9-16-17(4-2)10-13/h9-12,14H,3-8,15H2,1-2H3
InChIKeyWJWRPRDWJLBBCA-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.77
Rot. Bonds4

About [4-ethyl-2-(1-ethylpyrazol-4-yl)cyclohexyl]methanamine

[4-ethyl-2-(1-ethylpyrazol-4-yl)cyclohexyl]methanamine (PubChem CID 81012445) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is [4-ethyl-2-(1-ethylpyrazol-4-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-(1-ethylpyrazol-4-yl)cyclohexyl]methanamine
PubChem CID81012445
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name[4-ethyl-2-(1-ethylpyrazol-4-yl)cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(c2cnn(CC)c2)C1
InChIInChI=1S/C14H25N3/c1-3-11-5-6-12(8-15)14(7-11)13-9-16-17(4-2)10-13/h9-12,14H,3-8,15H2,1-2H3
InChIKeyWJWRPRDWJLBBCA-UHFFFAOYSA-N
XLogP2.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-ethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]-N-methylmethanamine
CID 81031706
[2-(1-propylpyrazol-4-yl)cyclobutyl]methanamine
CID 81009628
[2-(1-ethylpyrazol-4-yl)cyclopropyl]methanol
CID 103571107
4-tert-butyl-2-(1-ethylpyrazol-4-yl)cyclohexan-1-amine
CID 81014852
[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 96835165
1-[2-(1-ethylpyrazol-4-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81025836
N-[[2-(1-ethylpyrazol-4-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81017767
[2-(1-ethylpyrazol-4-yl)-1-propylpyrrolidin-3-yl]methanamine
CID 103570733
[4-ethyl-2-(3-fluorophenyl)cyclohexyl]methanamine
CID 81010427
[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methanamine
CID 122164121
[4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]methanamine
CID 81011696
[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methanamine
CID 81010305

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-(1-ethylpyrazol-4-yl)cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-2-(1-ethylpyrazol-4-yl)cyclohexyl]methanamine (CID 81012445) is [4-ethyl-2-(1-ethylpyrazol-4-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-2-(1-ethylpyrazol-4-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-2-(1-ethylpyrazol-4-yl)cyclohexyl]methanamine is CCC1CCC(CN)C(c2cnn(CC)c2)C1.
What is the InChIKey of [4-ethyl-2-(1-ethylpyrazol-4-yl)cyclohexyl]methanamine?
The InChIKey is WJWRPRDWJLBBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-11-5-6-12(8-15)14(7-11)13-9-16-17(4-2)10-13/h9-12,14H,3-8,15H2,1-2H3.
What are the key properties of [4-ethyl-2-(1-ethylpyrazol-4-yl)cyclohexyl]methanamine?
[4-ethyl-2-(1-ethylpyrazol-4-yl)cyclohexyl]methanamine has a molecular weight of 235.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(1-ethylpyrazol-4-yl)cyclohexyl]methanamine is sourced from PubChem (CID 81012445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).