N-(4-fluoro-2-nitrophenyl)-1-methylpyrazol-3-amine

C10H9FN4O2 — CID 115574116

IUPACN-(4-fluoro-2-nitrophenyl)-1-methylpyrazol-3-amine
SMILESCn1ccc(Nc2ccc(F)cc2[N+](=O)[O-])n1
InChIInChI=1S/C10H9FN4O2/c1-14-5-4-10(13-14)12-8-3-2-7(11)6-9(8)15(16)17/h2-6H,1H3,(H,12,13)
InChIKeyCDUSWRQFFJEBJU-UHFFFAOYSA-N
MW236.21 g/mol
LogP2.21
Rot. Bonds3

About N-(4-fluoro-2-nitrophenyl)-1-methylpyrazol-3-amine

N-(4-fluoro-2-nitrophenyl)-1-methylpyrazol-3-amine (PubChem CID 115574116) has the molecular formula C10H9FN4O2 and a molecular weight of 236.21 g/mol. Its IUPAC name is N-(4-fluoro-2-nitrophenyl)-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-nitrophenyl)-1-methylpyrazol-3-amine
PubChem CID115574116
Molecular FormulaC10H9FN4O2
Molecular Weight236.21 g/mol
Exact Mass236.07
IUPAC NameN-(4-fluoro-2-nitrophenyl)-1-methylpyrazol-3-amine
SMILESCn1ccc(Nc2ccc(F)cc2[N+](=O)[O-])n1
InChIInChI=1S/C10H9FN4O2/c1-14-5-4-10(13-14)12-8-3-2-7(11)6-9(8)15(16)17/h2-6H,1H3,(H,12,13)
InChIKeyCDUSWRQFFJEBJU-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-(3-fluoro-5-nitrophenyl)-1-methylpyrazol-3-amine
CID 79779709
N-(2-iodo-4-nitrophenyl)-1-methylpyrazol-3-amine
CID 79779397
2-methyl-N-(1-methylpyrazol-3-yl)-6-nitro-1,3-benzothiazol-5-amine
CID 79781355
5-methyl-N-(1-methylpyrazol-3-yl)-4-nitropyridin-2-amine
CID 83266661
1-methyl-N-(4-methyl-3-nitrophenyl)pyrazol-3-amine
CID 79779512
2-[(1-methylpyrazol-3-yl)amino]-5-nitrobenzoic acid
CID 78913493
2-(4-fluoro-2-nitrophenyl)-1,1-dimethylhydrazine
CID 114449270
N-(2-chloro-6-nitrophenyl)-1-methylpyrazol-3-amine
CID 79778291
4-fluoro-N-[(1-methyltriazol-4-yl)methyl]-2-nitroaniline
CID 55113981
1,5-dimethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 133423152
N-(4-fluoro-2-nitrophenyl)-1-propan-2-ylpyrazol-4-amine
CID 115606693
N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-2-amine
CID 79779100

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-nitrophenyl)-1-methylpyrazol-3-amine?
The IUPAC name of N-(4-fluoro-2-nitrophenyl)-1-methylpyrazol-3-amine (CID 115574116) is N-(4-fluoro-2-nitrophenyl)-1-methylpyrazol-3-amine.
What is the SMILES notation for N-(4-fluoro-2-nitrophenyl)-1-methylpyrazol-3-amine?
The canonical SMILES for N-(4-fluoro-2-nitrophenyl)-1-methylpyrazol-3-amine is Cn1ccc(Nc2ccc(F)cc2[N+](=O)[O-])n1.
What is the InChIKey of N-(4-fluoro-2-nitrophenyl)-1-methylpyrazol-3-amine?
The InChIKey is CDUSWRQFFJEBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O2/c1-14-5-4-10(13-14)12-8-3-2-7(11)6-9(8)15(16)17/h2-6H,1H3,(H,12,13).
What are the key properties of N-(4-fluoro-2-nitrophenyl)-1-methylpyrazol-3-amine?
N-(4-fluoro-2-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-(4-fluoro-2-nitrophenyl)-1-methylpyrazol-3-amine is sourced from PubChem (CID 115574116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).