2-methyl-N-(2-nitrophenyl)pyrazol-3-amine

C10H10N4O2 — CID 142742599

IUPAC2-methyl-N-(2-nitrophenyl)pyrazol-3-amine
SMILESCn1nccc1Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O2/c1-13-10(6-7-11-13)12-8-4-2-3-5-9(8)14(15)16/h2-7,12H,1H3
InChIKeyMKONETWNRDZIBG-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.07
Rot. Bonds3

About 2-methyl-N-(2-nitrophenyl)pyrazol-3-amine

2-methyl-N-(2-nitrophenyl)pyrazol-3-amine (PubChem CID 142742599) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-methyl-N-(2-nitrophenyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-methyl-N-(2-nitrophenyl)pyrazol-3-amine
PubChem CID142742599
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-methyl-N-(2-nitrophenyl)pyrazol-3-amine
SMILESCn1nccc1Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O2/c1-13-10(6-7-11-13)12-8-4-2-3-5-9(8)14(15)16/h2-7,12H,1H3
InChIKeyMKONETWNRDZIBG-UHFFFAOYSA-N
XLogP2.07
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methylpyrazol-3-yl)ethyl]-2-nitroaniline
CID 104696049
N-(2-nitrophenyl)pyridin-4-amine
CID 2784609
2-chloro-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide
CID 112576364
2-amino-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide
CID 112696742
N,N,1-trimethyl-4-(2-nitroanilino)pyrazole-5-carboxamide
CID 20550014
2-methyl-N-phenylpyrazol-3-amine
CID 57184010
1-methyl-4-nitro-N-(2-nitrophenyl)pyrazole-5-carboxamide
CID 19478431
3-(methylamino)-N-(2-methylpyrazol-3-yl)-2-nitrobenzamide
CID 115548768
6-methyl-N-(2-nitrophenyl)pyridin-2-amine
CID 69251400
3-hydrazinyl-N-(2-methylpyrazol-3-yl)-2-nitrobenzenesulfonamide
CID 115992869
N-(2-nitrophenyl)thiohydroxylamine
CID 59024861
2-bromo-N-(2-nitrophenyl)pyridin-4-amine
CID 151479059

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-nitrophenyl)pyrazol-3-amine?
The IUPAC name of 2-methyl-N-(2-nitrophenyl)pyrazol-3-amine (CID 142742599) is 2-methyl-N-(2-nitrophenyl)pyrazol-3-amine.
What is the SMILES notation for 2-methyl-N-(2-nitrophenyl)pyrazol-3-amine?
The canonical SMILES for 2-methyl-N-(2-nitrophenyl)pyrazol-3-amine is Cn1nccc1Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-N-(2-nitrophenyl)pyrazol-3-amine?
The InChIKey is MKONETWNRDZIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-13-10(6-7-11-13)12-8-4-2-3-5-9(8)14(15)16/h2-7,12H,1H3.
What are the key properties of 2-methyl-N-(2-nitrophenyl)pyrazol-3-amine?
2-methyl-N-(2-nitrophenyl)pyrazol-3-amine has a molecular weight of 218.22 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-nitrophenyl)pyrazol-3-amine is sourced from PubChem (CID 142742599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).