3-methyl-4-nitroso-1-phenylpyrazol-5-amine

C10H10N4O — CID 608691

IUPAC3-methyl-4-nitroso-1-phenylpyrazol-5-amine
SMILESCc1nn(-c2ccccc2)c(N)c1N=O
InChIInChI=1S/C10H10N4O/c1-7-9(13-15)10(11)14(12-7)8-5-3-2-4-6-8/h2-6H,11H2,1H3
InChIKeyPKNDMLXSFRJDDY-UHFFFAOYSA-N
MW202.22 g/mol
LogP2.16
Rot. Bonds2

About 3-methyl-4-nitroso-1-phenylpyrazol-5-amine

3-methyl-4-nitroso-1-phenylpyrazol-5-amine (PubChem CID 608691) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 3-methyl-4-nitroso-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-methyl-4-nitroso-1-phenylpyrazol-5-amine
PubChem CID608691
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name3-methyl-4-nitroso-1-phenylpyrazol-5-amine
SMILESCc1nn(-c2ccccc2)c(N)c1N=O
InChIInChI=1S/C10H10N4O/c1-7-9(13-15)10(11)14(12-7)8-5-3-2-4-6-8/h2-6H,11H2,1H3
InChIKeyPKNDMLXSFRJDDY-UHFFFAOYSA-N
XLogP2.16
TPSA73.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-nitroso-1-phenylpyrazol-5-amine?
The IUPAC name of 3-methyl-4-nitroso-1-phenylpyrazol-5-amine (CID 608691) is 3-methyl-4-nitroso-1-phenylpyrazol-5-amine.
What is the SMILES notation for 3-methyl-4-nitroso-1-phenylpyrazol-5-amine?
The canonical SMILES for 3-methyl-4-nitroso-1-phenylpyrazol-5-amine is Cc1nn(-c2ccccc2)c(N)c1N=O.
What is the InChIKey of 3-methyl-4-nitroso-1-phenylpyrazol-5-amine?
The InChIKey is PKNDMLXSFRJDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-7-9(13-15)10(11)14(12-7)8-5-3-2-4-6-8/h2-6H,11H2,1H3.
What are the key properties of 3-methyl-4-nitroso-1-phenylpyrazol-5-amine?
3-methyl-4-nitroso-1-phenylpyrazol-5-amine has a molecular weight of 202.22 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-nitroso-1-phenylpyrazol-5-amine is sourced from PubChem (CID 608691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).