[1-(aminomethyl)-3-ethylcyclohexyl]-(1,3-dimethylpyrazol-4-yl)methanol

C15H27N3O — CID 83094813

IUPAC[1-(aminomethyl)-3-ethylcyclohexyl]-(1,3-dimethylpyrazol-4-yl)methanol
SMILESCCC1CCCC(CN)(C(O)c2cn(C)nc2C)C1
InChIInChI=1S/C15H27N3O/c1-4-12-6-5-7-15(8-12,10-16)14(19)13-9-18(3)17-11(13)2/h9,12,14,19H,4-8,10,16H2,1-3H3
InChIKeyOBRYWEHMTHNUJJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.31
Rot. Bonds4

About [1-(aminomethyl)-3-ethylcyclohexyl]-(1,3-dimethylpyrazol-4-yl)methanol

[1-(aminomethyl)-3-ethylcyclohexyl]-(1,3-dimethylpyrazol-4-yl)methanol (PubChem CID 83094813) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is [1-(aminomethyl)-3-ethylcyclohexyl]-(1,3-dimethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-ethylcyclohexyl]-(1,3-dimethylpyrazol-4-yl)methanol
PubChem CID83094813
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name[1-(aminomethyl)-3-ethylcyclohexyl]-(1,3-dimethylpyrazol-4-yl)methanol
SMILESCCC1CCCC(CN)(C(O)c2cn(C)nc2C)C1
InChIInChI=1S/C15H27N3O/c1-4-12-6-5-7-15(8-12,10-16)14(19)13-9-18(3)17-11(13)2/h9,12,14,19H,4-8,10,16H2,1-3H3
InChIKeyOBRYWEHMTHNUJJ-UHFFFAOYSA-N
XLogP2.31
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-ethylcyclohexyl]-(1,3-dimethylpyrazol-4-yl)methanol?
The IUPAC name of [1-(aminomethyl)-3-ethylcyclohexyl]-(1,3-dimethylpyrazol-4-yl)methanol (CID 83094813) is [1-(aminomethyl)-3-ethylcyclohexyl]-(1,3-dimethylpyrazol-4-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-ethylcyclohexyl]-(1,3-dimethylpyrazol-4-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-ethylcyclohexyl]-(1,3-dimethylpyrazol-4-yl)methanol is CCC1CCCC(CN)(C(O)c2cn(C)nc2C)C1.
What is the InChIKey of [1-(aminomethyl)-3-ethylcyclohexyl]-(1,3-dimethylpyrazol-4-yl)methanol?
The InChIKey is OBRYWEHMTHNUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-12-6-5-7-15(8-12,10-16)14(19)13-9-18(3)17-11(13)2/h9,12,14,19H,4-8,10,16H2,1-3H3.
What are the key properties of [1-(aminomethyl)-3-ethylcyclohexyl]-(1,3-dimethylpyrazol-4-yl)methanol?
[1-(aminomethyl)-3-ethylcyclohexyl]-(1,3-dimethylpyrazol-4-yl)methanol has a molecular weight of 265.40 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-ethylcyclohexyl]-(1,3-dimethylpyrazol-4-yl)methanol is sourced from PubChem (CID 83094813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).