5-(2-methoxy-4-nitrophenyl)-1H-pyrazol-3-amine

C10H10N4O3 — CID 113452627

IUPAC5-(2-methoxy-4-nitrophenyl)-1H-pyrazol-3-amine
SMILESCOc1cc([N+](=O)[O-])ccc1-c1cc(N)n[nH]1
InChIInChI=1S/C10H10N4O3/c1-17-9-4-6(14(15)16)2-3-7(9)8-5-10(11)13-12-8/h2-5H,1H3,(H3,11,12,13)
InChIKeyCCPBFARWAWJLDH-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.58
Rot. Bonds3

About 5-(2-methoxy-4-nitrophenyl)-1H-pyrazol-3-amine

5-(2-methoxy-4-nitrophenyl)-1H-pyrazol-3-amine (PubChem CID 113452627) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 5-(2-methoxy-4-nitrophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-methoxy-4-nitrophenyl)-1H-pyrazol-3-amine
PubChem CID113452627
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name5-(2-methoxy-4-nitrophenyl)-1H-pyrazol-3-amine
SMILESCOc1cc([N+](=O)[O-])ccc1-c1cc(N)n[nH]1
InChIInChI=1S/C10H10N4O3/c1-17-9-4-6(14(15)16)2-3-7(9)8-5-10(11)13-12-8/h2-5H,1H3,(H3,11,12,13)
InChIKeyCCPBFARWAWJLDH-UHFFFAOYSA-N
XLogP1.58
TPSA107.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.58
H-Bond Donors ≤ 52
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

5-(2-methoxy-4-nitrophenyl)-1H-1,2,4-triazol-3-amine
CID 104783357
2-[[5-(2-methoxy-4-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 71554854
5-(2-methoxy-4-nitrophenyl)-4-methyl-1,2-oxazol-3-amine
CID 113452774
4-(3-amino-1H-pyrazol-5-yl)-2,5-dimethoxyphenol
CID 137017080
5-(4-methyl-2-nitrophenyl)-1H-pyrazol-3-amine
CID 174229984
4-ethyl-3-(2-methoxy-4-nitrophenyl)-1H-1,2,4-triazole-5-thione
CID 104783582
2-methoxy-4-nitro-1-(3-nitrophenyl)benzene
CID 91596770
3-amino-5-(2-methoxy-4-nitrophenyl)thiophene-2-carboxylic acid
CID 104783573
1-(2-chlorophenyl)-2-methoxy-4-nitrobenzene
CID 134109564
aniline;2-methoxy-4-nitroaniline
CID 154966148
5-(2,4-dimethoxyphenyl)-3-[(3-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole
CID 48837560
5-(3-amino-1H-pyrazol-5-yl)-2,4-dimethoxybenzoic acid
CID 117412042

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-4-nitrophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-methoxy-4-nitrophenyl)-1H-pyrazol-3-amine (CID 113452627) is 5-(2-methoxy-4-nitrophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-methoxy-4-nitrophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-methoxy-4-nitrophenyl)-1H-pyrazol-3-amine is COc1cc([N+](=O)[O-])ccc1-c1cc(N)n[nH]1.
What is the InChIKey of 5-(2-methoxy-4-nitrophenyl)-1H-pyrazol-3-amine?
The InChIKey is CCPBFARWAWJLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-17-9-4-6(14(15)16)2-3-7(9)8-5-10(11)13-12-8/h2-5H,1H3,(H3,11,12,13).
What are the key properties of 5-(2-methoxy-4-nitrophenyl)-1H-pyrazol-3-amine?
5-(2-methoxy-4-nitrophenyl)-1H-pyrazol-3-amine has a molecular weight of 234.22 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-4-nitrophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 113452627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).