3-methyl-1-(2-methylphenyl)-4-nitrosopyrazol-5-amine

C11H12N4O — CID 4036674

IUPAC3-methyl-1-(2-methylphenyl)-4-nitrosopyrazol-5-amine
SMILESCc1ccccc1-n1nc(C)c(N=O)c1N
InChIInChI=1S/C11H12N4O/c1-7-5-3-4-6-9(7)15-11(12)10(14-16)8(2)13-15/h3-6H,12H2,1-2H3
InChIKeyOVPSSOQQNUUHJU-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.47
Rot. Bonds2

About 3-methyl-1-(2-methylphenyl)-4-nitrosopyrazol-5-amine

3-methyl-1-(2-methylphenyl)-4-nitrosopyrazol-5-amine (PubChem CID 4036674) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-methyl-1-(2-methylphenyl)-4-nitrosopyrazol-5-amine.

Molecular Properties

Compound Name3-methyl-1-(2-methylphenyl)-4-nitrosopyrazol-5-amine
PubChem CID4036674
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name3-methyl-1-(2-methylphenyl)-4-nitrosopyrazol-5-amine
SMILESCc1ccccc1-n1nc(C)c(N=O)c1N
InChIInChI=1S/C11H12N4O/c1-7-5-3-4-6-9(7)15-11(12)10(14-16)8(2)13-15/h3-6H,12H2,1-2H3
InChIKeyOVPSSOQQNUUHJU-UHFFFAOYSA-N
XLogP2.47
TPSA73.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylphenyl)-4-nitrosopyrazol-5-amine?
The IUPAC name of 3-methyl-1-(2-methylphenyl)-4-nitrosopyrazol-5-amine (CID 4036674) is 3-methyl-1-(2-methylphenyl)-4-nitrosopyrazol-5-amine.
What is the SMILES notation for 3-methyl-1-(2-methylphenyl)-4-nitrosopyrazol-5-amine?
The canonical SMILES for 3-methyl-1-(2-methylphenyl)-4-nitrosopyrazol-5-amine is Cc1ccccc1-n1nc(C)c(N=O)c1N.
What is the InChIKey of 3-methyl-1-(2-methylphenyl)-4-nitrosopyrazol-5-amine?
The InChIKey is OVPSSOQQNUUHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-7-5-3-4-6-9(7)15-11(12)10(14-16)8(2)13-15/h3-6H,12H2,1-2H3.
What are the key properties of 3-methyl-1-(2-methylphenyl)-4-nitrosopyrazol-5-amine?
3-methyl-1-(2-methylphenyl)-4-nitrosopyrazol-5-amine has a molecular weight of 216.24 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylphenyl)-4-nitrosopyrazol-5-amine is sourced from PubChem (CID 4036674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).