N-(3-fluoro-5-nitrophenyl)-1-methylpyrazol-3-amine

C10H9FN4O2 — CID 79779709

IUPACN-(3-fluoro-5-nitrophenyl)-1-methylpyrazol-3-amine
SMILESCn1ccc(Nc2cc(F)cc([N+](=O)[O-])c2)n1
InChIInChI=1S/C10H9FN4O2/c1-14-3-2-10(13-14)12-8-4-7(11)5-9(6-8)15(16)17/h2-6H,1H3,(H,12,13)
InChIKeyOILVXIWFZUZSAH-UHFFFAOYSA-N
MW236.21 g/mol
LogP2.21
Rot. Bonds3

About N-(3-fluoro-5-nitrophenyl)-1-methylpyrazol-3-amine

N-(3-fluoro-5-nitrophenyl)-1-methylpyrazol-3-amine (PubChem CID 79779709) has the molecular formula C10H9FN4O2 and a molecular weight of 236.21 g/mol. Its IUPAC name is N-(3-fluoro-5-nitrophenyl)-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-(3-fluoro-5-nitrophenyl)-1-methylpyrazol-3-amine
PubChem CID79779709
Molecular FormulaC10H9FN4O2
Molecular Weight236.21 g/mol
Exact Mass236.07
IUPAC NameN-(3-fluoro-5-nitrophenyl)-1-methylpyrazol-3-amine
SMILESCn1ccc(Nc2cc(F)cc([N+](=O)[O-])c2)n1
InChIInChI=1S/C10H9FN4O2/c1-14-3-2-10(13-14)12-8-4-7(11)5-9(6-8)15(16)17/h2-6H,1H3,(H,12,13)
InChIKeyOILVXIWFZUZSAH-UHFFFAOYSA-N
XLogP2.21
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 52.21
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-(1-methylpyrazol-3-yl)-5-nitropyrimidin-2-amine
CID 79779100
N-(4-fluoro-2-nitrophenyl)-1-methylpyrazol-3-amine
CID 115574116
3-fluoro-N-(4-fluorophenyl)-5-nitroaniline
CID 80752071
1-methyl-N-(4-methyl-3-nitrophenyl)pyrazol-3-amine
CID 79779512
N-(2-iodo-4-nitrophenyl)-1-methylpyrazol-3-amine
CID 79779397
4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylaniline
CID 80751738
3-fluoro-5-nitro-N-(2-propan-2-ylphenyl)aniline
CID 80752800
5-bromo-N-(3-fluoro-5-nitrophenyl)-2-methylaniline
CID 80752415
2-[(1-methylpyrazol-3-yl)amino]-5-nitrobenzoic acid
CID 78913493
N-(3-chloro-5-fluorophenyl)-3-fluoro-5-nitroaniline
CID 107368860
N-(3,5-dimethoxyphenyl)-3-fluoro-5-nitroaniline
CID 80752662
2,3,5,6-tetrafluoro-N-(3-fluoro-5-nitrophenyl)aniline
CID 107645553

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-nitrophenyl)-1-methylpyrazol-3-amine?
The IUPAC name of N-(3-fluoro-5-nitrophenyl)-1-methylpyrazol-3-amine (CID 79779709) is N-(3-fluoro-5-nitrophenyl)-1-methylpyrazol-3-amine.
What is the SMILES notation for N-(3-fluoro-5-nitrophenyl)-1-methylpyrazol-3-amine?
The canonical SMILES for N-(3-fluoro-5-nitrophenyl)-1-methylpyrazol-3-amine is Cn1ccc(Nc2cc(F)cc([N+](=O)[O-])c2)n1.
What is the InChIKey of N-(3-fluoro-5-nitrophenyl)-1-methylpyrazol-3-amine?
The InChIKey is OILVXIWFZUZSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O2/c1-14-3-2-10(13-14)12-8-4-7(11)5-9(6-8)15(16)17/h2-6H,1H3,(H,12,13).
What are the key properties of N-(3-fluoro-5-nitrophenyl)-1-methylpyrazol-3-amine?
N-(3-fluoro-5-nitrophenyl)-1-methylpyrazol-3-amine has a molecular weight of 236.21 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-nitrophenyl)-1-methylpyrazol-3-amine is sourced from PubChem (CID 79779709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).