[1-(aminomethyl)-4-ethylcyclohexyl]-(2-methylpyrazol-3-yl)methanol

C14H25N3O — CID 114554625

IUPAC[1-(aminomethyl)-4-ethylcyclohexyl]-(2-methylpyrazol-3-yl)methanol
SMILESCCC1CCC(CN)(C(O)c2ccnn2C)CC1
InChIInChI=1S/C14H25N3O/c1-3-11-4-7-14(10-15,8-5-11)13(18)12-6-9-16-17(12)2/h6,9,11,13,18H,3-5,7-8,10,15H2,1-2H3
InChIKeyXXQHCTLMQBCHOO-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.00
Rot. Bonds4

About [1-(aminomethyl)-4-ethylcyclohexyl]-(2-methylpyrazol-3-yl)methanol

[1-(aminomethyl)-4-ethylcyclohexyl]-(2-methylpyrazol-3-yl)methanol (PubChem CID 114554625) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is [1-(aminomethyl)-4-ethylcyclohexyl]-(2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-ethylcyclohexyl]-(2-methylpyrazol-3-yl)methanol
PubChem CID114554625
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name[1-(aminomethyl)-4-ethylcyclohexyl]-(2-methylpyrazol-3-yl)methanol
SMILESCCC1CCC(CN)(C(O)c2ccnn2C)CC1
InChIInChI=1S/C14H25N3O/c1-3-11-4-7-14(10-15,8-5-11)13(18)12-6-9-16-17(12)2/h6,9,11,13,18H,3-5,7-8,10,15H2,1-2H3
InChIKeyXXQHCTLMQBCHOO-UHFFFAOYSA-N
XLogP2.00
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-ethylcyclohexyl]-(2-methylpyrazol-3-yl)methanol?
The IUPAC name of [1-(aminomethyl)-4-ethylcyclohexyl]-(2-methylpyrazol-3-yl)methanol (CID 114554625) is [1-(aminomethyl)-4-ethylcyclohexyl]-(2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4-ethylcyclohexyl]-(2-methylpyrazol-3-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-4-ethylcyclohexyl]-(2-methylpyrazol-3-yl)methanol is CCC1CCC(CN)(C(O)c2ccnn2C)CC1.
What is the InChIKey of [1-(aminomethyl)-4-ethylcyclohexyl]-(2-methylpyrazol-3-yl)methanol?
The InChIKey is XXQHCTLMQBCHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-11-4-7-14(10-15,8-5-11)13(18)12-6-9-16-17(12)2/h6,9,11,13,18H,3-5,7-8,10,15H2,1-2H3.
What are the key properties of [1-(aminomethyl)-4-ethylcyclohexyl]-(2-methylpyrazol-3-yl)methanol?
[1-(aminomethyl)-4-ethylcyclohexyl]-(2-methylpyrazol-3-yl)methanol has a molecular weight of 251.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-ethylcyclohexyl]-(2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 114554625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).