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

C10H11N3O2 — CID 171384707

IUPAC4-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole
SMILESCC1C=NN(c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C10H11N3O2/c1-8-6-11-12(7-8)9-2-4-10(5-3-9)13(14)15/h2-6,8H,7H2,1H3
InChIKeyJRIBFBCMHBLSRZ-UHFFFAOYSA-N
MW205.22 g/mol
LogP2.04
Rot. Bonds2

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

4-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole (PubChem CID 171384707) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name4-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole
PubChem CID171384707
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name4-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole
SMILESCC1C=NN(c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C10H11N3O2/c1-8-6-11-12(7-8)9-2-4-10(5-3-9)13(14)15/h2-6,8H,7H2,1H3
InChIKeyJRIBFBCMHBLSRZ-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
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
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-5-methyl-1-(2,4-dinitro)phenyl-
CID 171384641
Pyrazole, 4,5-dihydro-5-methyl-1-(p-nitrophenyl)-
CID 171384858
N-Ethyl-N-methyl-4-nitrobenzeneamine
CID 596690
Pyrazole, 3-ethyl-4,5-dihydro-1-(2,4-dinitro)phenyl-
CID 121223894

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole?
The IUPAC name of 4-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole (CID 171384707) is 4-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 4-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole?
The canonical SMILES for 4-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole is CC1C=NN(c2ccc([N+](=O)[O-])cc2)C1.
What is the InChIKey of 4-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole?
The InChIKey is JRIBFBCMHBLSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-8-6-11-12(7-8)9-2-4-10(5-3-9)13(14)15/h2-6,8H,7H2,1H3.
What are the key properties of 4-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole?
4-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole has a molecular weight of 205.22 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 171384707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).