[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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(aminomethyl)cyclobutyl]-(2-methylpyrazol-3-yl)methanol
CID 102547567
[1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol
CID 79138792
[1-(aminomethyl)-4-ethylcyclohexyl]-(4-propan-2-ylphenyl)methanol
CID 79123405
[1-(aminomethyl)-4-ethylcyclohexyl]-(5-methylfuran-2-yl)methanol
CID 79134973
[1-(aminomethyl)-4-ethylcyclohexyl]-(5-ethylfuran-2-yl)methanol
CID 79138645
[1-(aminomethyl)-4-ethylcyclohexyl]-(1,3-thiazol-2-yl)methanol
CID 113373188
[1-(aminomethyl)-4-ethylcyclohexyl]-(2,6-dichlorophenyl)methanol
CID 79134806
[1-(aminomethyl)-4-ethylcyclohexyl]-(2-chlorophenyl)methanol
CID 79135103
[1-(aminomethyl)-4-ethylcyclohexyl]-(5-chlorothiophen-2-yl)methanol
CID 79137694
[1-(aminomethyl)-4-ethylcyclohexyl]-(2-cyclopropylphenyl)methanol
CID 79971232
[1-(aminomethyl)-4-ethylcyclohexyl]-(2,3-dimethylphenyl)methanol
CID 79138258
[1-(aminomethyl)-4-ethylcyclohexyl]-(2,5-dimethylphenyl)methanol
CID 79138985

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).