4-(2,4-difluorophenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine

C14H15F2N3O — CID 64559125

IUPAC4-(2,4-difluorophenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C2CCCOC2)c1-c1ccc(F)cc1F
InChIInChI=1S/C14H15F2N3O/c15-9-3-4-10(11(16)6-9)12-13(18-19-14(12)17)8-2-1-5-20-7-8/h3-4,6,8H,1-2,5,7H2,(H3,17,18,19)
InChIKeyAGBHNKNVYBFYRM-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.83
Rot. Bonds2

About 4-(2,4-difluorophenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine

4-(2,4-difluorophenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine (PubChem CID 64559125) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine
PubChem CID64559125
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name4-(2,4-difluorophenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C2CCCOC2)c1-c1ccc(F)cc1F
InChIInChI=1S/C14H15F2N3O/c15-9-3-4-10(11(16)6-9)12-13(18-19-14(12)17)8-2-1-5-20-7-8/h3-4,6,8H,1-2,5,7H2,(H3,17,18,19)
InChIKeyAGBHNKNVYBFYRM-UHFFFAOYSA-N
XLogP2.83
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine (CID 64559125) is 4-(2,4-difluorophenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine is Nc1n[nH]c(C2CCCOC2)c1-c1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine?
The InChIKey is AGBHNKNVYBFYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c15-9-3-4-10(11(16)6-9)12-13(18-19-14(12)17)8-2-1-5-20-7-8/h3-4,6,8H,1-2,5,7H2,(H3,17,18,19).
What are the key properties of 4-(2,4-difluorophenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine?
4-(2,4-difluorophenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine has a molecular weight of 279.29 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 64559125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).