[2-(2-ethylpyrazol-3-yl)-4,4-dimethylcyclohexyl]methanamine

C14H25N3 — CID 81012812

IUPAC[2-(2-ethylpyrazol-3-yl)-4,4-dimethylcyclohexyl]methanamine
SMILESCCn1nccc1C1CC(C)(C)CCC1CN
InChIInChI=1S/C14H25N3/c1-4-17-13(6-8-16-17)12-9-14(2,3)7-5-11(12)10-15/h6,8,11-12H,4-5,7,9-10,15H2,1-3H3
InChIKeyUTTVSTFTYMMOLP-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.77
Rot. Bonds3

About [2-(2-ethylpyrazol-3-yl)-4,4-dimethylcyclohexyl]methanamine

[2-(2-ethylpyrazol-3-yl)-4,4-dimethylcyclohexyl]methanamine (PubChem CID 81012812) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is [2-(2-ethylpyrazol-3-yl)-4,4-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2-ethylpyrazol-3-yl)-4,4-dimethylcyclohexyl]methanamine
PubChem CID81012812
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name[2-(2-ethylpyrazol-3-yl)-4,4-dimethylcyclohexyl]methanamine
SMILESCCn1nccc1C1CC(C)(C)CCC1CN
InChIInChI=1S/C14H25N3/c1-4-17-13(6-8-16-17)12-9-14(2,3)7-5-11(12)10-15/h6,8,11-12H,4-5,7,9-10,15H2,1-3H3
InChIKeyUTTVSTFTYMMOLP-UHFFFAOYSA-N
XLogP2.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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3-(1-methyl-1H-pyrazol-3-yl)piperidine
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4-(1-methyl-1H-pyrazol-3-yl)piperidine
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1-methyl-3-(pyrrolidin-3-yl)-1H-pyrazole
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4-(2-Methylpyrazol-3-yl)piperidine;dihydrochloride
CID 92130993
4-(1-methyl-1H-pyrazol-3-yl)piperidine hydrochloride
CID 165595799
3-(5-cyclopropyl-1H-pyrazol-1-yl)propan-1-amine
CID 19619792
3-(1-methyl-1H-pyrazol-5-yl)cyclopentan-1-amine
CID 64504110
3-methyl-2-(1-methyl-1H-pyrazol-5-yl)butan-1-amine
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CID 82594921

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylpyrazol-3-yl)-4,4-dimethylcyclohexyl]methanamine?
The IUPAC name of [2-(2-ethylpyrazol-3-yl)-4,4-dimethylcyclohexyl]methanamine (CID 81012812) is [2-(2-ethylpyrazol-3-yl)-4,4-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2-ethylpyrazol-3-yl)-4,4-dimethylcyclohexyl]methanamine?
The canonical SMILES for [2-(2-ethylpyrazol-3-yl)-4,4-dimethylcyclohexyl]methanamine is CCn1nccc1C1CC(C)(C)CCC1CN.
What is the InChIKey of [2-(2-ethylpyrazol-3-yl)-4,4-dimethylcyclohexyl]methanamine?
The InChIKey is UTTVSTFTYMMOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-17-13(6-8-16-17)12-9-14(2,3)7-5-11(12)10-15/h6,8,11-12H,4-5,7,9-10,15H2,1-3H3.
What are the key properties of [2-(2-ethylpyrazol-3-yl)-4,4-dimethylcyclohexyl]methanamine?
[2-(2-ethylpyrazol-3-yl)-4,4-dimethylcyclohexyl]methanamine has a molecular weight of 235.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylpyrazol-3-yl)-4,4-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 81012812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).