N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-chloro-5-pyrazol-1-ylbenzamide

C14H14ClN7O — CID 119074001

IUPACN-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-chloro-5-pyrazol-1-ylbenzamide
SMILESNc1n[nH]c(CCNC(=O)c2cc(-n3cccn3)ccc2Cl)n1
InChIInChI=1S/C14H14ClN7O/c15-11-3-2-9(22-7-1-5-18-22)8-10(11)13(23)17-6-4-12-19-14(16)21-20-12/h1-3,5,7-8H,4,6H2,(H,17,23)(H3,16,19,20,21)
InChIKeyMGIZHSPXHHAWLU-UHFFFAOYSA-N
MW331.77 g/mol
LogP1.20
Rot. Bonds5

About N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-chloro-5-pyrazol-1-ylbenzamide

N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-chloro-5-pyrazol-1-ylbenzamide (PubChem CID 119074001) has the molecular formula C14H14ClN7O and a molecular weight of 331.77 g/mol. Its IUPAC name is N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-chloro-5-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-chloro-5-pyrazol-1-ylbenzamide
PubChem CID119074001
Molecular FormulaC14H14ClN7O
Molecular Weight331.77 g/mol
Exact Mass331.09
IUPAC NameN-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-chloro-5-pyrazol-1-ylbenzamide
SMILESNc1n[nH]c(CCNC(=O)c2cc(-n3cccn3)ccc2Cl)n1
InChIInChI=1S/C14H14ClN7O/c15-11-3-2-9(22-7-1-5-18-22)8-10(11)13(23)17-6-4-12-19-14(16)21-20-12/h1-3,5,7-8H,4,6H2,(H,17,23)(H3,16,19,20,21)
InChIKeyMGIZHSPXHHAWLU-UHFFFAOYSA-N
XLogP1.20
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.77
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-chloro-5-pyrazol-1-ylbenzamide 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-chloro-N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-5-pyrazol-1-ylbenzamide
CID 46975356
3-pyrazol-1-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 50949722
2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-pyrazol-1-ylbenzamide
CID 77091034
3,6-dichloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide
CID 41413238
2-chloro-N-[(5-methylpyrazin-2-yl)methyl]-5-pyrazol-1-ylbenzamide
CID 119059713
2-chloro-N-(oxan-4-yl)-5-pyrazol-1-ylbenzamide
CID 119060260
5-amino-2-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64517582
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
CID 135103602
1-(3,4-dichlorophenyl)pyrazole
CID 20572459
2-chloro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-pyrazol-1-ylbenzamide
CID 157014048
3,4-dichloro-N-[2-[(2-pyrazol-1-ylbenzoyl)amino]ethyl]benzamide
CID 78888408
2-(2-chlorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30525810

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-chloro-5-pyrazol-1-ylbenzamide?
The IUPAC name of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-chloro-5-pyrazol-1-ylbenzamide (CID 119074001) is N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-chloro-5-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-chloro-5-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-chloro-5-pyrazol-1-ylbenzamide is Nc1n[nH]c(CCNC(=O)c2cc(-n3cccn3)ccc2Cl)n1.
What is the InChIKey of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-chloro-5-pyrazol-1-ylbenzamide?
The InChIKey is MGIZHSPXHHAWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN7O/c15-11-3-2-9(22-7-1-5-18-22)8-10(11)13(23)17-6-4-12-19-14(16)21-20-12/h1-3,5,7-8H,4,6H2,(H,17,23)(H3,16,19,20,21).
What are the key properties of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-chloro-5-pyrazol-1-ylbenzamide?
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-chloro-5-pyrazol-1-ylbenzamide has a molecular weight of 331.77 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-chloro-5-pyrazol-1-ylbenzamide is sourced from PubChem (CID 119074001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).