4-(4-fluoro-2-methylphenyl)-N,1,3-trimethyl-N-(2-nitrophenyl)pyrazol-5-amine

C19H19FN4O2 — CID 166738530

IUPAC4-(4-fluoro-2-methylphenyl)-N,1,3-trimethyl-N-(2-nitrophenyl)pyrazol-5-amine
SMILESCc1cc(F)ccc1-c1c(C)nn(C)c1N(C)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H19FN4O2/c1-12-11-14(20)9-10-15(12)18-13(2)21-23(4)19(18)22(3)16-7-5-6-8-17(16)24(25)26/h5-11H,1-4H3
InChIKeySRQWMOPACMTOFC-UHFFFAOYSA-N
MW354.39 g/mol
LogP4.52
Rot. Bonds4

About 4-(4-fluoro-2-methylphenyl)-N,1,3-trimethyl-N-(2-nitrophenyl)pyrazol-5-amine

4-(4-fluoro-2-methylphenyl)-N,1,3-trimethyl-N-(2-nitrophenyl)pyrazol-5-amine (PubChem CID 166738530) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenyl)-N,1,3-trimethyl-N-(2-nitrophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenyl)-N,1,3-trimethyl-N-(2-nitrophenyl)pyrazol-5-amine
PubChem CID166738530
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name4-(4-fluoro-2-methylphenyl)-N,1,3-trimethyl-N-(2-nitrophenyl)pyrazol-5-amine
SMILESCc1cc(F)ccc1-c1c(C)nn(C)c1N(C)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H19FN4O2/c1-12-11-14(20)9-10-15(12)18-13(2)21-23(4)19(18)22(3)16-7-5-6-8-17(16)24(25)26/h5-11H,1-4H3
InChIKeySRQWMOPACMTOFC-UHFFFAOYSA-N
XLogP4.52
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenyl)-N,1,3-trimethyl-N-(2-nitrophenyl)pyrazol-5-amine?
The IUPAC name of 4-(4-fluoro-2-methylphenyl)-N,1,3-trimethyl-N-(2-nitrophenyl)pyrazol-5-amine (CID 166738530) is 4-(4-fluoro-2-methylphenyl)-N,1,3-trimethyl-N-(2-nitrophenyl)pyrazol-5-amine.
What is the SMILES notation for 4-(4-fluoro-2-methylphenyl)-N,1,3-trimethyl-N-(2-nitrophenyl)pyrazol-5-amine?
The canonical SMILES for 4-(4-fluoro-2-methylphenyl)-N,1,3-trimethyl-N-(2-nitrophenyl)pyrazol-5-amine is Cc1cc(F)ccc1-c1c(C)nn(C)c1N(C)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 4-(4-fluoro-2-methylphenyl)-N,1,3-trimethyl-N-(2-nitrophenyl)pyrazol-5-amine?
The InChIKey is SRQWMOPACMTOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-12-11-14(20)9-10-15(12)18-13(2)21-23(4)19(18)22(3)16-7-5-6-8-17(16)24(25)26/h5-11H,1-4H3.
What are the key properties of 4-(4-fluoro-2-methylphenyl)-N,1,3-trimethyl-N-(2-nitrophenyl)pyrazol-5-amine?
4-(4-fluoro-2-methylphenyl)-N,1,3-trimethyl-N-(2-nitrophenyl)pyrazol-5-amine has a molecular weight of 354.39 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenyl)-N,1,3-trimethyl-N-(2-nitrophenyl)pyrazol-5-amine is sourced from PubChem (CID 166738530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).