3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexane-1-carbonitrile

C15H23N3 — CID 103017320

IUPAC3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexane-1-carbonitrile
SMILESCCC1CCCC(C#N)(CCc2cnn(C)c2)C1
InChIInChI=1S/C15H23N3/c1-3-13-5-4-7-15(9-13,12-16)8-6-14-10-17-18(2)11-14/h10-11,13H,3-9H2,1-2H3
InChIKeyCKXMYKNDMSCMGI-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.46
Rot. Bonds4

About 3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexane-1-carbonitrile

3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexane-1-carbonitrile (PubChem CID 103017320) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexane-1-carbonitrile
PubChem CID103017320
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexane-1-carbonitrile
SMILESCCC1CCCC(C#N)(CCc2cnn(C)c2)C1
InChIInChI=1S/C15H23N3/c1-3-13-5-4-7-15(9-13,12-16)8-6-14-10-17-18(2)11-14/h10-11,13H,3-9H2,1-2H3
InChIKeyCKXMYKNDMSCMGI-UHFFFAOYSA-N
XLogP3.46
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 103007094
3-ethyl-1-[2-[4-(4-pentylphenyl)phenyl]ethyl]cyclohexane-1-carbonitrile
CID 19800769
3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]cyclohexane-1-carbonitrile
CID 107057341
3-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclopentane-1-carbonitrile
CID 65401861
1-[2-(4-bromophenoxy)ethyl]-3-ethylcyclohexane-1-carbonitrile
CID 65403270
3-amino-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006526
3-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol
CID 106874124
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103005734
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006291
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-amine
CID 103007104
1-methyl-4-[2-(2-propylpyrrolidin-2-yl)ethyl]pyrazole
CID 103010970
1-[(5-chloro-2-fluorophenyl)methyl]-3-ethylcyclohexane-1-carbonitrile
CID 103051023

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexane-1-carbonitrile?
The IUPAC name of 3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexane-1-carbonitrile (CID 103017320) is 3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexane-1-carbonitrile is CCC1CCCC(C#N)(CCc2cnn(C)c2)C1.
What is the InChIKey of 3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexane-1-carbonitrile?
The InChIKey is CKXMYKNDMSCMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-3-13-5-4-7-15(9-13,12-16)8-6-14-10-17-18(2)11-14/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexane-1-carbonitrile?
3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexane-1-carbonitrile has a molecular weight of 245.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 103017320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).