2-[4-(aminomethyl)triazol-1-yl]-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanone

C11H15ClN6O2 — CID 114670644

IUPAC2-[4-(aminomethyl)triazol-1-yl]-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanone
SMILESCOCCn1ncc(Cl)c1C(=O)Cn1cc(CN)nn1
InChIInChI=1S/C11H15ClN6O2/c1-20-3-2-18-11(9(12)5-14-18)10(19)7-17-6-8(4-13)15-16-17/h5-6H,2-4,7,13H2,1H3
InChIKeyCKVLPCWSMRAYCG-UHFFFAOYSA-N
MW298.73 g/mol
LogP0.12
Rot. Bonds7

About 2-[4-(aminomethyl)triazol-1-yl]-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanone

2-[4-(aminomethyl)triazol-1-yl]-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanone (PubChem CID 114670644) has the molecular formula C11H15ClN6O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanone.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanone
PubChem CID114670644
Molecular FormulaC11H15ClN6O2
Molecular Weight298.73 g/mol
Exact Mass298.09
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanone
SMILESCOCCn1ncc(Cl)c1C(=O)Cn1cc(CN)nn1
InChIInChI=1S/C11H15ClN6O2/c1-20-3-2-18-11(9(12)5-14-18)10(19)7-17-6-8(4-13)15-16-17/h5-6H,2-4,7,13H2,1H3
InChIKeyCKVLPCWSMRAYCG-UHFFFAOYSA-N
XLogP0.12
TPSA100.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-(aminomethyl)triazol-1-yl]-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanone 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-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-methylbutan-1-one
CID 114639108
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-methylpentan-1-one
CID 115815222
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-one
CID 115815131
[1-(aminomethyl)cyclohexyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114670686
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
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-phenoxyethanone
CID 114639797
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methylphenyl)propan-1-one
CID 105135461
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-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456331

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanone?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanone (CID 114670644) is 2-[4-(aminomethyl)triazol-1-yl]-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanone.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanone?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanone is COCCn1ncc(Cl)c1C(=O)Cn1cc(CN)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanone?
The InChIKey is CKVLPCWSMRAYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6O2/c1-20-3-2-18-11(9(12)5-14-18)10(19)7-17-6-8(4-13)15-16-17/h5-6H,2-4,7,13H2,1H3.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanone?
2-[4-(aminomethyl)triazol-1-yl]-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanone has a molecular weight of 298.73 g/mol, XLogP of 0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanone is sourced from PubChem (CID 114670644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).