1-(3-fluoro-4-nitrophenyl)-4-methylpyrazol-3-amine

C10H9FN4O2 — CID 102943044

IUPAC1-(3-fluoro-4-nitrophenyl)-4-methylpyrazol-3-amine
SMILESCc1cn(-c2ccc([N+](=O)[O-])c(F)c2)nc1N
InChIInChI=1S/C10H9FN4O2/c1-6-5-14(13-10(6)12)7-2-3-9(15(16)17)8(11)4-7/h2-5H,1H3,(H2,12,13)
InChIKeyRVHUBTNSSXDBSA-UHFFFAOYSA-N
MW236.21 g/mol
LogP1.81
Rot. Bonds2

About 1-(3-fluoro-4-nitrophenyl)-4-methylpyrazol-3-amine

1-(3-fluoro-4-nitrophenyl)-4-methylpyrazol-3-amine (PubChem CID 102943044) has the molecular formula C10H9FN4O2 and a molecular weight of 236.21 g/mol. Its IUPAC name is 1-(3-fluoro-4-nitrophenyl)-4-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-nitrophenyl)-4-methylpyrazol-3-amine
PubChem CID102943044
Molecular FormulaC10H9FN4O2
Molecular Weight236.21 g/mol
Exact Mass236.07
IUPAC Name1-(3-fluoro-4-nitrophenyl)-4-methylpyrazol-3-amine
SMILESCc1cn(-c2ccc([N+](=O)[O-])c(F)c2)nc1N
InChIInChI=1S/C10H9FN4O2/c1-6-5-14(13-10(6)12)7-2-3-9(15(16)17)8(11)4-7/h2-5H,1H3,(H2,12,13)
InChIKeyRVHUBTNSSXDBSA-UHFFFAOYSA-N
XLogP1.81
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 51.81
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

1-(3-fluoro-4-nitrophenyl)pyrazol-3-amine
CID 102943043
4-methyl-1-(3,4,5-trifluorophenyl)pyrazol-3-amine
CID 79194411
[1-(3-fluoro-4-nitrophenyl)triazol-4-yl]methanamine
CID 82844757
1-(4-fluorophenyl)-4-methylpyrazol-3-amine;hydrochloride
CID 170911525
4-methyl-1-(2-methyl-3-nitrophenyl)pyrazol-3-amine
CID 102942641
1-(3-fluorophenyl)-4-methylpyrazol-3-amine
CID 62677931
1-[1-(3-fluoro-4-nitrophenyl)triazol-4-yl]propan-1-amine
CID 106227272
1-(2-chloro-6-nitrophenyl)-4-methylpyrazol-3-amine
CID 102943145
1-(3-fluoro-4-nitrophenyl)-5-methyltetrazole
CID 170646036
2-[1-(3-fluoro-4-nitrophenyl)triazol-4-yl]ethanol
CID 82843995
1-(2-chloro-4-nitrophenyl)-4-methylpyrazol-3-amine
CID 102942629
1-(4-bromo-3,5-dimethylphenyl)-4-methylpyrazol-3-amine
CID 107581343

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-nitrophenyl)-4-methylpyrazol-3-amine?
The IUPAC name of 1-(3-fluoro-4-nitrophenyl)-4-methylpyrazol-3-amine (CID 102943044) is 1-(3-fluoro-4-nitrophenyl)-4-methylpyrazol-3-amine.
What is the SMILES notation for 1-(3-fluoro-4-nitrophenyl)-4-methylpyrazol-3-amine?
The canonical SMILES for 1-(3-fluoro-4-nitrophenyl)-4-methylpyrazol-3-amine is Cc1cn(-c2ccc([N+](=O)[O-])c(F)c2)nc1N.
What is the InChIKey of 1-(3-fluoro-4-nitrophenyl)-4-methylpyrazol-3-amine?
The InChIKey is RVHUBTNSSXDBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O2/c1-6-5-14(13-10(6)12)7-2-3-9(15(16)17)8(11)4-7/h2-5H,1H3,(H2,12,13).
What are the key properties of 1-(3-fluoro-4-nitrophenyl)-4-methylpyrazol-3-amine?
1-(3-fluoro-4-nitrophenyl)-4-methylpyrazol-3-amine has a molecular weight of 236.21 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-nitrophenyl)-4-methylpyrazol-3-amine is sourced from PubChem (CID 102943044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).