1-ethyl-N-(4-methyl-1H-pyrazol-5-yl)benzotriazole-5-carboxamide

C13H14N6O — CID 115630210

IUPAC1-ethyl-N-(4-methyl-1H-pyrazol-5-yl)benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3[nH]ncc3C)ccc21
InChIInChI=1S/C13H14N6O/c1-3-19-11-5-4-9(6-10(11)16-18-19)13(20)15-12-8(2)7-14-17-12/h4-7H,3H2,1-2H3,(H2,14,15,17,20)
InChIKeyPPWLHCMRDKARPM-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.74
Rot. Bonds3

About 1-ethyl-N-(4-methyl-1H-pyrazol-5-yl)benzotriazole-5-carboxamide

1-ethyl-N-(4-methyl-1H-pyrazol-5-yl)benzotriazole-5-carboxamide (PubChem CID 115630210) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-ethyl-N-(4-methyl-1H-pyrazol-5-yl)benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(4-methyl-1H-pyrazol-5-yl)benzotriazole-5-carboxamide
PubChem CID115630210
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name1-ethyl-N-(4-methyl-1H-pyrazol-5-yl)benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3[nH]ncc3C)ccc21
InChIInChI=1S/C13H14N6O/c1-3-19-11-5-4-9(6-10(11)16-18-19)13(20)15-12-8(2)7-14-17-12/h4-7H,3H2,1-2H3,(H2,14,15,17,20)
InChIKeyPPWLHCMRDKARPM-UHFFFAOYSA-N
XLogP1.74
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-N-(4-methyl-1H-pyrazol-5-yl)benzotriazole-5-carboxamide 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-ethyl-N-(2,4,6-trimethylphenyl)benzotriazole-5-carboxamide
CID 26085870
1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide
CID 26709742
1-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazole-5-carboxamide
CID 135877247
1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide
CID 8839386
N-(3-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 22110318
N-(4-amino-3,5-dichlorophenyl)-1-ethylbenzotriazole-5-carboxamide
CID 47014537
N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 51208716
N-butyl-1-ethylbenzotriazole-5-carboxamide
CID 18106233
1-ethyl-N-prop-2-ynylbenzotriazole-5-carboxamide
CID 30600317
N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-ethylbenzotriazole-5-carboxamide
CID 48585600
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-ethylbenzotriazole-5-carboxamide
CID 8780720
1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide
CID 26727322

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-methyl-1H-pyrazol-5-yl)benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-(4-methyl-1H-pyrazol-5-yl)benzotriazole-5-carboxamide (CID 115630210) is 1-ethyl-N-(4-methyl-1H-pyrazol-5-yl)benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-(4-methyl-1H-pyrazol-5-yl)benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-(4-methyl-1H-pyrazol-5-yl)benzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)Nc3[nH]ncc3C)ccc21.
What is the InChIKey of 1-ethyl-N-(4-methyl-1H-pyrazol-5-yl)benzotriazole-5-carboxamide?
The InChIKey is PPWLHCMRDKARPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-3-19-11-5-4-9(6-10(11)16-18-19)13(20)15-12-8(2)7-14-17-12/h4-7H,3H2,1-2H3,(H2,14,15,17,20).
What are the key properties of 1-ethyl-N-(4-methyl-1H-pyrazol-5-yl)benzotriazole-5-carboxamide?
1-ethyl-N-(4-methyl-1H-pyrazol-5-yl)benzotriazole-5-carboxamide has a molecular weight of 270.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-methyl-1H-pyrazol-5-yl)benzotriazole-5-carboxamide is sourced from PubChem (CID 115630210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).