4-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methyl-1H-pyrazol-3-amine

C13H12FN5 — CID 59028636

IUPAC4-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methyl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1-c1ccc(-n2cccn2)cc1F
InChIInChI=1S/C13H12FN5/c1-8-12(13(15)18-17-8)10-4-3-9(7-11(10)14)19-6-2-5-16-19/h2-7H,1H3,(H3,15,17,18)
InChIKeyUQFICFHSAAYTGI-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.29
Rot. Bonds2

About 4-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methyl-1H-pyrazol-3-amine

4-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methyl-1H-pyrazol-3-amine (PubChem CID 59028636) has the molecular formula C13H12FN5 and a molecular weight of 257.27 g/mol. Its IUPAC name is 4-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methyl-1H-pyrazol-3-amine
PubChem CID59028636
Molecular FormulaC13H12FN5
Molecular Weight257.27 g/mol
Exact Mass257.11
IUPAC Name4-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methyl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1-c1ccc(-n2cccn2)cc1F
InChIInChI=1S/C13H12FN5/c1-8-12(13(15)18-17-8)10-4-3-9(7-11(10)14)19-6-2-5-16-19/h2-7H,1H3,(H3,15,17,18)
InChIKeyUQFICFHSAAYTGI-UHFFFAOYSA-N
XLogP2.29
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methyl-1H-pyrazol-3-amine?
The IUPAC name of 4-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methyl-1H-pyrazol-3-amine (CID 59028636) is 4-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methyl-1H-pyrazol-3-amine is Cc1[nH]nc(N)c1-c1ccc(-n2cccn2)cc1F.
What is the InChIKey of 4-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methyl-1H-pyrazol-3-amine?
The InChIKey is UQFICFHSAAYTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5/c1-8-12(13(15)18-17-8)10-4-3-9(7-11(10)14)19-6-2-5-16-19/h2-7H,1H3,(H3,15,17,18).
What are the key properties of 4-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methyl-1H-pyrazol-3-amine?
4-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methyl-1H-pyrazol-3-amine has a molecular weight of 257.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 59028636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).