2-(4-methyl-3-nitrophenyl)-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazole

C14H15N5O2 — CID 20646277

IUPAC2-(4-methyl-3-nitrophenyl)-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazole
SMILESCc1ccc(-c2nc3cc(C(C)C)[nH]n3n2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H15N5O2/c1-8(2)11-7-13-15-14(17-18(13)16-11)10-5-4-9(3)12(6-10)19(20)21/h4-8,16H,1-3H3
InChIKeyQOUQDFYQQXNQRC-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.06
Rot. Bonds3

About 2-(4-methyl-3-nitrophenyl)-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazole

2-(4-methyl-3-nitrophenyl)-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazole (PubChem CID 20646277) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-(4-methyl-3-nitrophenyl)-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazole.

Molecular Properties

Compound Name2-(4-methyl-3-nitrophenyl)-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazole
PubChem CID20646277
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name2-(4-methyl-3-nitrophenyl)-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazole
SMILESCc1ccc(-c2nc3cc(C(C)C)[nH]n3n2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H15N5O2/c1-8(2)11-7-13-15-14(17-18(13)16-11)10-5-4-9(3)12(6-10)19(20)21/h4-8,16H,1-3H3
InChIKeyQOUQDFYQQXNQRC-UHFFFAOYSA-N
XLogP3.06
TPSA89.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-methyl-3-nitrophenyl)-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazole 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

3-(4-methyl-3-nitrophenyl)-1H-1,2,4-triazole-5-sulfonamide
CID 113366463
4-cyclopropyl-3-(4-methyl-3-nitrophenyl)-1,2,4-triazole
CID 115394156
1-methyl-2-nitro-4-phenylbenzene
CID 12909826
CID 158735382
CID 158735382
1,2,3-trichloro-5-(4-methyl-3-nitrophenyl)benzene
CID 134628498
2-(3-methyl-4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrazine
CID 67799385
[1-methyl-3-(4-methyl-3-nitrophenyl)pyrazol-5-yl]methanamine
CID 84761562
N-[[5-(4-methyl-3-nitrophenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79485569
4-(4-methyl-3-nitrophenyl)benzene-1,2-diamine
CID 154095344
methyl 2-(4-methyl-3-nitrophenyl)pyrimidine-4-carboxylate
CID 143824946
5-(4-methyl-3-nitrophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 22086569
3-(4-methyl-3-nitrophenyl)-4-propyl-1H-1,2,4-triazole-5-thione
CID 115391525

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-nitrophenyl)-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazole?
The IUPAC name of 2-(4-methyl-3-nitrophenyl)-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazole (CID 20646277) is 2-(4-methyl-3-nitrophenyl)-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazole.
What is the SMILES notation for 2-(4-methyl-3-nitrophenyl)-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazole?
The canonical SMILES for 2-(4-methyl-3-nitrophenyl)-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazole is Cc1ccc(-c2nc3cc(C(C)C)[nH]n3n2)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-methyl-3-nitrophenyl)-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazole?
The InChIKey is QOUQDFYQQXNQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-8(2)11-7-13-15-14(17-18(13)16-11)10-5-4-9(3)12(6-10)19(20)21/h4-8,16H,1-3H3.
What are the key properties of 2-(4-methyl-3-nitrophenyl)-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazole?
2-(4-methyl-3-nitrophenyl)-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazole has a molecular weight of 285.31 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-nitrophenyl)-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazole is sourced from PubChem (CID 20646277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).