5-(4-methylphenyl)-2-nitroso-3,4-dihydropyrazole

C10H11N3O — CID 3303491

IUPAC5-(4-methylphenyl)-2-nitroso-3,4-dihydropyrazole
SMILESCc1ccc(C2=NN(N=O)CC2)cc1
InChIInChI=1S/C10H11N3O/c1-8-2-4-9(5-3-8)10-6-7-13(11-10)12-14/h2-5H,6-7H2,1H3
InChIKeyMSFIKYRSOXZBHD-UHFFFAOYSA-N
MW189.22 g/mol
LogP2.09
Rot. Bonds2

About 5-(4-methylphenyl)-2-nitroso-3,4-dihydropyrazole

5-(4-methylphenyl)-2-nitroso-3,4-dihydropyrazole (PubChem CID 3303491) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2-nitroso-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-2-nitroso-3,4-dihydropyrazole
PubChem CID3303491
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name5-(4-methylphenyl)-2-nitroso-3,4-dihydropyrazole
SMILESCc1ccc(C2=NN(N=O)CC2)cc1
InChIInChI=1S/C10H11N3O/c1-8-2-4-9(5-3-8)10-6-7-13(11-10)12-14/h2-5H,6-7H2,1H3
InChIKeyMSFIKYRSOXZBHD-UHFFFAOYSA-N
XLogP2.09
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-2-nitroso-3,4-dihydropyrazole?
The IUPAC name of 5-(4-methylphenyl)-2-nitroso-3,4-dihydropyrazole (CID 3303491) is 5-(4-methylphenyl)-2-nitroso-3,4-dihydropyrazole.
What is the SMILES notation for 5-(4-methylphenyl)-2-nitroso-3,4-dihydropyrazole?
The canonical SMILES for 5-(4-methylphenyl)-2-nitroso-3,4-dihydropyrazole is Cc1ccc(C2=NN(N=O)CC2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-2-nitroso-3,4-dihydropyrazole?
The InChIKey is MSFIKYRSOXZBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-8-2-4-9(5-3-8)10-6-7-13(11-10)12-14/h2-5H,6-7H2,1H3.
What are the key properties of 5-(4-methylphenyl)-2-nitroso-3,4-dihydropyrazole?
5-(4-methylphenyl)-2-nitroso-3,4-dihydropyrazole has a molecular weight of 189.22 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-2-nitroso-3,4-dihydropyrazole is sourced from PubChem (CID 3303491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).