5-(4-fluorophenyl)-1-methylpyrazol-4-amine

C10H10FN3 — CID 28803587

IUPAC5-(4-fluorophenyl)-1-methylpyrazol-4-amine
SMILESCn1ncc(N)c1-c1ccc(F)cc1
InChIInChI=1S/C10H10FN3/c1-14-10(9(12)6-13-14)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3
InChIKeyOAYWLORICCXMBD-UHFFFAOYSA-N
MW191.21 g/mol
LogP1.81
Rot. Bonds1

About 5-(4-fluorophenyl)-1-methylpyrazol-4-amine

5-(4-fluorophenyl)-1-methylpyrazol-4-amine (PubChem CID 28803587) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-methylpyrazol-4-amine
PubChem CID28803587
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name5-(4-fluorophenyl)-1-methylpyrazol-4-amine
SMILESCn1ncc(N)c1-c1ccc(F)cc1
InChIInChI=1S/C10H10FN3/c1-14-10(9(12)6-13-14)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3
InChIKeyOAYWLORICCXMBD-UHFFFAOYSA-N
XLogP1.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-methylpyrazol-4-amine?
The IUPAC name of 5-(4-fluorophenyl)-1-methylpyrazol-4-amine (CID 28803587) is 5-(4-fluorophenyl)-1-methylpyrazol-4-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-1-methylpyrazol-4-amine?
The canonical SMILES for 5-(4-fluorophenyl)-1-methylpyrazol-4-amine is Cn1ncc(N)c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-1-methylpyrazol-4-amine?
The InChIKey is OAYWLORICCXMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3/c1-14-10(9(12)6-13-14)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-1-methylpyrazol-4-amine?
5-(4-fluorophenyl)-1-methylpyrazol-4-amine has a molecular weight of 191.21 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-methylpyrazol-4-amine is sourced from PubChem (CID 28803587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).