5-methyl-4-nitroso-3-phenyl-1H-pyrazole

C10H9N3O — CID 4913129

IUPAC5-methyl-4-nitroso-3-phenyl-1H-pyrazole
SMILESCc1[nH]nc(-c2ccccc2)c1N=O
InChIInChI=1S/C10H9N3O/c1-7-9(13-14)10(12-11-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12)
InChIKeySCFXUSWFEOCSAZ-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.78
Rot. Bonds2

About 5-methyl-4-nitroso-3-phenyl-1H-pyrazole

5-methyl-4-nitroso-3-phenyl-1H-pyrazole (PubChem CID 4913129) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 5-methyl-4-nitroso-3-phenyl-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-4-nitroso-3-phenyl-1H-pyrazole
PubChem CID4913129
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name5-methyl-4-nitroso-3-phenyl-1H-pyrazole
SMILESCc1[nH]nc(-c2ccccc2)c1N=O
InChIInChI=1S/C10H9N3O/c1-7-9(13-14)10(12-11-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12)
InChIKeySCFXUSWFEOCSAZ-UHFFFAOYSA-N
XLogP2.78
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nitroso-3-phenyl-1H-pyrazole?
The IUPAC name of 5-methyl-4-nitroso-3-phenyl-1H-pyrazole (CID 4913129) is 5-methyl-4-nitroso-3-phenyl-1H-pyrazole.
What is the SMILES notation for 5-methyl-4-nitroso-3-phenyl-1H-pyrazole?
The canonical SMILES for 5-methyl-4-nitroso-3-phenyl-1H-pyrazole is Cc1[nH]nc(-c2ccccc2)c1N=O.
What is the InChIKey of 5-methyl-4-nitroso-3-phenyl-1H-pyrazole?
The InChIKey is SCFXUSWFEOCSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-7-9(13-14)10(12-11-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12).
What are the key properties of 5-methyl-4-nitroso-3-phenyl-1H-pyrazole?
5-methyl-4-nitroso-3-phenyl-1H-pyrazole has a molecular weight of 187.20 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitroso-3-phenyl-1H-pyrazole is sourced from PubChem (CID 4913129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).