1-[(2-ethylpyrazol-3-yl)-hydroxymethyl]cyclooctane-1-carbonitrile

C15H23N3O — CID 114558116

IUPAC1-[(2-ethylpyrazol-3-yl)-hydroxymethyl]cyclooctane-1-carbonitrile
SMILESCCn1nccc1C(O)C1(C#N)CCCCCCC1
InChIInChI=1S/C15H23N3O/c1-2-18-13(8-11-17-18)14(19)15(12-16)9-6-4-3-5-7-10-15/h8,11,14,19H,2-7,9-10H2,1H3
InChIKeyCMDPWYIMPNBUAX-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.19
Rot. Bonds3

About 1-[(2-ethylpyrazol-3-yl)-hydroxymethyl]cyclooctane-1-carbonitrile

1-[(2-ethylpyrazol-3-yl)-hydroxymethyl]cyclooctane-1-carbonitrile (PubChem CID 114558116) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[(2-ethylpyrazol-3-yl)-hydroxymethyl]cyclooctane-1-carbonitrile.

Molecular Properties

Compound Name1-[(2-ethylpyrazol-3-yl)-hydroxymethyl]cyclooctane-1-carbonitrile
PubChem CID114558116
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[(2-ethylpyrazol-3-yl)-hydroxymethyl]cyclooctane-1-carbonitrile
SMILESCCn1nccc1C(O)C1(C#N)CCCCCCC1
InChIInChI=1S/C15H23N3O/c1-2-18-13(8-11-17-18)14(19)15(12-16)9-6-4-3-5-7-10-15/h8,11,14,19H,2-7,9-10H2,1H3
InChIKeyCMDPWYIMPNBUAX-UHFFFAOYSA-N
XLogP3.19
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2-ethylpyrazol-3-yl)-hydroxymethyl]cyclooctane-1-carbonitrile 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-[(2-ethylpyrazol-3-yl)-hydroxymethyl]cycloheptane-1-carbonitrile
CID 114558118
(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methanol
CID 106830881
4-[hydroxy-(2-propylpyrazol-3-yl)methyl]oxane-4-carbonitrile
CID 114558157
1-[hydroxy-(3-propylimidazol-4-yl)methyl]cycloheptane-1-carbonitrile
CID 79126912
(2-ethylpyrazol-3-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755731
[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]hydrazine
CID 106831218
N-[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830099
(1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanol
CID 116753279
2-[(2-ethylpyrazol-3-yl)-hydroxymethyl]-2-methylbutanenitrile
CID 114558131
1-[(2-ethylphenyl)-hydroxymethyl]cyclooctane-1-carbonitrile
CID 80603181
1-[(2-ethylpyrazol-3-yl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243858
(2,2-dimethylcyclopentyl)-(2-ethylpyrazol-3-yl)methanol
CID 107192287

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylpyrazol-3-yl)-hydroxymethyl]cyclooctane-1-carbonitrile?
The IUPAC name of 1-[(2-ethylpyrazol-3-yl)-hydroxymethyl]cyclooctane-1-carbonitrile (CID 114558116) is 1-[(2-ethylpyrazol-3-yl)-hydroxymethyl]cyclooctane-1-carbonitrile.
What is the SMILES notation for 1-[(2-ethylpyrazol-3-yl)-hydroxymethyl]cyclooctane-1-carbonitrile?
The canonical SMILES for 1-[(2-ethylpyrazol-3-yl)-hydroxymethyl]cyclooctane-1-carbonitrile is CCn1nccc1C(O)C1(C#N)CCCCCCC1.
What is the InChIKey of 1-[(2-ethylpyrazol-3-yl)-hydroxymethyl]cyclooctane-1-carbonitrile?
The InChIKey is CMDPWYIMPNBUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-18-13(8-11-17-18)14(19)15(12-16)9-6-4-3-5-7-10-15/h8,11,14,19H,2-7,9-10H2,1H3.
What are the key properties of 1-[(2-ethylpyrazol-3-yl)-hydroxymethyl]cyclooctane-1-carbonitrile?
1-[(2-ethylpyrazol-3-yl)-hydroxymethyl]cyclooctane-1-carbonitrile has a molecular weight of 261.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylpyrazol-3-yl)-hydroxymethyl]cyclooctane-1-carbonitrile is sourced from PubChem (CID 114558116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).