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

C13H20ClN3O2 — CID 114669906

IUPAC[2-(aminomethyl)cyclopentyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
SMILESCOCCn1ncc(Cl)c1C(=O)C1CCCC1CN
InChIInChI=1S/C13H20ClN3O2/c1-19-6-5-17-12(11(14)8-16-17)13(18)10-4-2-3-9(10)7-15/h8-10H,2-7,15H2,1H3
InChIKeyHKXFIKHCTLKRAE-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.74
Rot. Bonds6

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

[2-(aminomethyl)cyclopentyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone (PubChem CID 114669906) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is [2-(aminomethyl)cyclopentyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)cyclopentyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
PubChem CID114669906
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name[2-(aminomethyl)cyclopentyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
SMILESCOCCn1ncc(Cl)c1C(=O)C1CCCC1CN
InChIInChI=1S/C13H20ClN3O2/c1-19-6-5-17-12(11(14)8-16-17)13(18)10-4-2-3-9(10)7-15/h8-10H,2-7,15H2,1H3
InChIKeyHKXFIKHCTLKRAE-UHFFFAOYSA-N
XLogP1.74
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyloxolan-3-yl)methanone
CID 115815281
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methanone
CID 115815285
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-piperidin-2-ylmethanone
CID 114668048
(2-aminocyclohexyl)-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
CID 114669674
[1-(aminomethyl)cyclohexyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114670686
(1-aminocyclopropyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114669526
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-one
CID 114641095
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methyloxolan-3-yl)methanone
CID 115815123
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methoxy-2-methylpropan-1-one
CID 114641356
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-piperidin-4-yloxyethanone
CID 114669264
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456331
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanone
CID 114641389

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclopentyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone?
The IUPAC name of [2-(aminomethyl)cyclopentyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone (CID 114669906) is [2-(aminomethyl)cyclopentyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone.
What is the SMILES notation for [2-(aminomethyl)cyclopentyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone?
The canonical SMILES for [2-(aminomethyl)cyclopentyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone is COCCn1ncc(Cl)c1C(=O)C1CCCC1CN.
What is the InChIKey of [2-(aminomethyl)cyclopentyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone?
The InChIKey is HKXFIKHCTLKRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-19-6-5-17-12(11(14)8-16-17)13(18)10-4-2-3-9(10)7-15/h8-10H,2-7,15H2,1H3.
What are the key properties of [2-(aminomethyl)cyclopentyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone?
[2-(aminomethyl)cyclopentyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone has a molecular weight of 285.78 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclopentyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone is sourced from PubChem (CID 114669906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).