3-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole

C10H11N3O2 — CID 171384858

IUPAC3-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole
SMILESCC1CC=NN1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H11N3O2/c1-8-6-7-11-12(8)9-2-4-10(5-3-9)13(14)15/h2-5,7-8H,6H2,1H3
InChIKeyWVWOOMKDWZJUNW-UHFFFAOYSA-N
MW205.22 g/mol
LogP2.18
Rot. Bonds2

About 3-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole

3-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole (PubChem CID 171384858) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole
PubChem CID171384858
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole
SMILESCC1CC=NN1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H11N3O2/c1-8-6-7-11-12(8)9-2-4-10(5-3-9)13(14)15/h2-5,7-8H,6H2,1H3
InChIKeyWVWOOMKDWZJUNW-UHFFFAOYSA-N
XLogP2.18
TPSA58.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-Diethyl-4-nitrobenzenamine
CID 75185
N-Methyl-4-nitro-N-nitrosobenzenamine
CID 13671
N-butyl-N-methyl-4-nitroaniline
CID 3547882
1-(4-Nitrophenyl)-4,5-dihydrotriazole
CID 101360
3-methyl-1-(4-nitrophenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
CID 3095685
1-Phenyl-4,5-dihydro-1H-pyrazole
CID 589611
3,5,5-Trimethyl-1-(4-nitro-phenyl)-4,5-dihydro-1H-pyrazole
CID 4651438
Pyrazole, 4,5-dihydro-3-methyl-1-(p-nitrophenyl)-
CID 85860681
Pyrazole, 4,5-dihydro-3-methyl-1-(2,4-dinitro)phenyl-
CID 171384457
Pyrazole, 4,5-dihydro-3-methyl-1-(2,4,6-trinitro)phenyl-
CID 171384625
Pyrazole, 4,5-dihydro-5-methyl-1-(2,4-dinitro)phenyl-
CID 171384641
Pyrazole, 4,5-dihydro-4-methyl-1-(p-nitrophenyl)-
CID 171384707

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole?
The IUPAC name of 3-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole (CID 171384858) is 3-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 3-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole?
The canonical SMILES for 3-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole is CC1CC=NN1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole?
The InChIKey is WVWOOMKDWZJUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-8-6-7-11-12(8)9-2-4-10(5-3-9)13(14)15/h2-5,7-8H,6H2,1H3.
What are the key properties of 3-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole?
3-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole has a molecular weight of 205.22 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 171384858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).