5-(5-fluoro-3-pyridinyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine

C15H13FN4 — CID 104785937

IUPAC5-(5-fluoro-3-pyridinyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccccc1-c1c(N)n[nH]c1-c1cncc(F)c1
InChIInChI=1S/C15H13FN4/c1-9-4-2-3-5-12(9)13-14(19-20-15(13)17)10-6-11(16)8-18-7-10/h2-8H,1H3,(H3,17,19,20)
InChIKeyRSSUUZRQGWDUQJ-UHFFFAOYSA-N
MW268.30 g/mol
LogP3.17
Rot. Bonds2

About 5-(5-fluoro-3-pyridinyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine

5-(5-fluoro-3-pyridinyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 104785937) has the molecular formula C15H13FN4 and a molecular weight of 268.30 g/mol. Its IUPAC name is 5-(5-fluoro-3-pyridinyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-fluoro-3-pyridinyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
PubChem CID104785937
Molecular FormulaC15H13FN4
Molecular Weight268.30 g/mol
Exact Mass268.11
IUPAC Name5-(5-fluoro-3-pyridinyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccccc1-c1c(N)n[nH]c1-c1cncc(F)c1
InChIInChI=1S/C15H13FN4/c1-9-4-2-3-5-12(9)13-14(19-20-15(13)17)10-6-11(16)8-18-7-10/h2-8H,1H3,(H3,17,19,20)
InChIKeyRSSUUZRQGWDUQJ-UHFFFAOYSA-N
XLogP3.17
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-3-pyridinyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-fluoro-3-pyridinyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine (CID 104785937) is 5-(5-fluoro-3-pyridinyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-fluoro-3-pyridinyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-fluoro-3-pyridinyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine is Cc1ccccc1-c1c(N)n[nH]c1-c1cncc(F)c1.
What is the InChIKey of 5-(5-fluoro-3-pyridinyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is RSSUUZRQGWDUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4/c1-9-4-2-3-5-12(9)13-14(19-20-15(13)17)10-6-11(16)8-18-7-10/h2-8H,1H3,(H3,17,19,20).
What are the key properties of 5-(5-fluoro-3-pyridinyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine?
5-(5-fluoro-3-pyridinyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 268.30 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-3-pyridinyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 104785937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).