2-(benzotriazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylacetamide

C14H15ClN6O — CID 19460563

IUPAC2-(benzotriazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylacetamide
SMILESCN(Cc1c(Cl)cnn1C)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C14H15ClN6O/c1-19(8-13-10(15)7-16-20(13)2)14(22)9-21-12-6-4-3-5-11(12)17-18-21/h3-7H,8-9H2,1-2H3
InChIKeyCSQPMHIATKXFAL-UHFFFAOYSA-N
MW318.77 g/mol
LogP1.48
Rot. Bonds4

About 2-(benzotriazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylacetamide

2-(benzotriazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylacetamide (PubChem CID 19460563) has the molecular formula C14H15ClN6O and a molecular weight of 318.77 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylacetamide
PubChem CID19460563
Molecular FormulaC14H15ClN6O
Molecular Weight318.77 g/mol
Exact Mass318.10
IUPAC Name2-(benzotriazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylacetamide
SMILESCN(Cc1c(Cl)cnn1C)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C14H15ClN6O/c1-19(8-13-10(15)7-16-20(13)2)14(22)9-21-12-6-4-3-5-11(12)17-18-21/h3-7H,8-9H2,1-2H3
InChIKeyCSQPMHIATKXFAL-UHFFFAOYSA-N
XLogP1.48
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.77
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(benzotriazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylacetamide 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

2-(benzotriazol-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 47007781
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylbutanamide
CID 19460723
2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide
CID 166191100
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylbenzamide
CID 19460736
2-(benzotriazol-1-yl)-N-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 166280414
1,3-bis(benzotriazol-1-ylmethyl)-1,3-dimethylurea
CID 3839558
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 27795536
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-2-(3-nitropyrazol-1-yl)acetamide
CID 19460595
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 17494264
sodium 2-(benzotriazol-1-yl)acetate
CID 23711121
2-(benzotriazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
CID 19468957
2-(benzotriazol-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 166281423

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylacetamide (CID 19460563) is 2-(benzotriazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylacetamide is CN(Cc1c(Cl)cnn1C)C(=O)Cn1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylacetamide?
The InChIKey is CSQPMHIATKXFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6O/c1-19(8-13-10(15)7-16-20(13)2)14(22)9-21-12-6-4-3-5-11(12)17-18-21/h3-7H,8-9H2,1-2H3.
What are the key properties of 2-(benzotriazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylacetamide?
2-(benzotriazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylacetamide has a molecular weight of 318.77 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 19460563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).