N-methyl-1-[2-(2-methylpyrazol-3-yl)-5-nitrosophenyl]methanamine

C12H14N4O — CID 89069620

IUPACN-methyl-1-[2-(2-methylpyrazol-3-yl)-5-nitrosophenyl]methanamine
SMILESCNCc1cc(N=O)ccc1-c1ccnn1C
InChIInChI=1S/C12H14N4O/c1-13-8-9-7-10(15-17)3-4-11(9)12-5-6-14-16(12)2/h3-7,13H,8H2,1-2H3
InChIKeyVAWJTGVEFXVKAM-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.20
Rot. Bonds4

About N-methyl-1-[2-(2-methylpyrazol-3-yl)-5-nitrosophenyl]methanamine

N-methyl-1-[2-(2-methylpyrazol-3-yl)-5-nitrosophenyl]methanamine (PubChem CID 89069620) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methylpyrazol-3-yl)-5-nitrosophenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methylpyrazol-3-yl)-5-nitrosophenyl]methanamine
PubChem CID89069620
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-methyl-1-[2-(2-methylpyrazol-3-yl)-5-nitrosophenyl]methanamine
SMILESCNCc1cc(N=O)ccc1-c1ccnn1C
InChIInChI=1S/C12H14N4O/c1-13-8-9-7-10(15-17)3-4-11(9)12-5-6-14-16(12)2/h3-7,13H,8H2,1-2H3
InChIKeyVAWJTGVEFXVKAM-UHFFFAOYSA-N
XLogP2.20
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 137946
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CID 43817898
4-(1-Methyl-1H-pyrazol-3-yl)-phenylamine
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1-methyl-5-(4-nitrophenyl)-1H-pyrazole
CID 12581094
3-[4-[(E)-hydroxyiminomethyl]-3-(3-nitrophenyl)pyrazol-1-yl]propanenitrile
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1-Methyl-N-(2-phenylethyl)-1H-pyrazole-3-methanamine
CID 7017351
3-[4-[(benzylamino)methyl]-3-(3-nitrophenyl)-1H-pyrazol-1-yl]propanenitrile
CID 2200408
1-Methyl-5-phenylpyrazole
CID 137947
N-methyl-1-[4-(1H-pyrazol-1-yl)phenyl]methanamine
CID 4419849
3-(1-Methyl-1H-pyrazol-3-yl)aniline
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CID 6485349

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-methylpyrazol-3-yl)-5-nitrosophenyl]methanamine?
The IUPAC name of N-methyl-1-[2-(2-methylpyrazol-3-yl)-5-nitrosophenyl]methanamine (CID 89069620) is N-methyl-1-[2-(2-methylpyrazol-3-yl)-5-nitrosophenyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2-methylpyrazol-3-yl)-5-nitrosophenyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2-methylpyrazol-3-yl)-5-nitrosophenyl]methanamine is CNCc1cc(N=O)ccc1-c1ccnn1C.
What is the InChIKey of N-methyl-1-[2-(2-methylpyrazol-3-yl)-5-nitrosophenyl]methanamine?
The InChIKey is VAWJTGVEFXVKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-13-8-9-7-10(15-17)3-4-11(9)12-5-6-14-16(12)2/h3-7,13H,8H2,1-2H3.
What are the key properties of N-methyl-1-[2-(2-methylpyrazol-3-yl)-5-nitrosophenyl]methanamine?
N-methyl-1-[2-(2-methylpyrazol-3-yl)-5-nitrosophenyl]methanamine has a molecular weight of 230.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-methylpyrazol-3-yl)-5-nitrosophenyl]methanamine is sourced from PubChem (CID 89069620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).