[1-(aminomethyl)cyclohexyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone

C14H22ClN3O2 — CID 114670686

IUPAC[1-(aminomethyl)cyclohexyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
SMILESCOCCn1ncc(Cl)c1C(=O)C1(CN)CCCCC1
InChIInChI=1S/C14H22ClN3O2/c1-20-8-7-18-12(11(15)9-17-18)13(19)14(10-16)5-3-2-4-6-14/h9H,2-8,10,16H2,1H3
InChIKeyGLRHTSXOBUUMQA-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.27
Rot. Bonds6

About [1-(aminomethyl)cyclohexyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone

[1-(aminomethyl)cyclohexyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone (PubChem CID 114670686) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
PubChem CID114670686
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name[1-(aminomethyl)cyclohexyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
SMILESCOCCn1ncc(Cl)c1C(=O)C1(CN)CCCCC1
InChIInChI=1S/C14H22ClN3O2/c1-20-8-7-18-12(11(15)9-17-18)13(19)14(10-16)5-3-2-4-6-14/h9H,2-8,10,16H2,1H3
InChIKeyGLRHTSXOBUUMQA-UHFFFAOYSA-N
XLogP2.27
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(aminomethyl)cyclohexyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone 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-aminocyclopropyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114669526
[1-(aminomethyl)cyclobutyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114670668
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-propylpiperidin-3-yl)methanone
CID 114669197
[4-(aminomethyl)oxan-4-yl]-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114670803
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-phenylcyclopropyl)methanone
CID 114640014
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-one
CID 114641095
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methoxy-2-methylpropan-1-one
CID 114641356
[2-(aminomethyl)cyclopentyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114669906
[1-(aminomethyl)cyclohexyl]-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
CID 114670687
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanone
CID 114641389
3-amino-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylbutan-1-one
CID 114671235
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methoxycyclohexyl)methanone
CID 114642722

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone?
The IUPAC name of [1-(aminomethyl)cyclohexyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone (CID 114670686) is [1-(aminomethyl)cyclohexyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone is COCCn1ncc(Cl)c1C(=O)C1(CN)CCCCC1.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone?
The InChIKey is GLRHTSXOBUUMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-20-8-7-18-12(11(15)9-17-18)13(19)14(10-16)5-3-2-4-6-14/h9H,2-8,10,16H2,1H3.
What are the key properties of [1-(aminomethyl)cyclohexyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone?
[1-(aminomethyl)cyclohexyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone has a molecular weight of 299.80 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone is sourced from PubChem (CID 114670686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).