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

C14H16FN3O — CID 171807115

IUPAC4-(4-fluorophenyl)-5-(oxan-2-yl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C2CCCCO2)c1-c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O/c15-10-6-4-9(5-7-10)12-13(17-18-14(12)16)11-3-1-2-8-19-11/h4-7,11H,1-3,8H2,(H3,16,17,18)
InChIKeyZFYNMVDFDSKDAJ-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.04
Rot. Bonds2

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

4-(4-fluorophenyl)-5-(oxan-2-yl)-1H-pyrazol-3-amine (PubChem CID 171807115) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(oxan-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(oxan-2-yl)-1H-pyrazol-3-amine
PubChem CID171807115
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name4-(4-fluorophenyl)-5-(oxan-2-yl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C2CCCCO2)c1-c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O/c15-10-6-4-9(5-7-10)12-13(17-18-14(12)16)11-3-1-2-8-19-11/h4-7,11H,1-3,8H2,(H3,16,17,18)
InChIKeyZFYNMVDFDSKDAJ-UHFFFAOYSA-N
XLogP3.04
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(oxan-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(4-fluorophenyl)-5-(oxan-2-yl)-1H-pyrazol-3-amine (CID 171807115) is 4-(4-fluorophenyl)-5-(oxan-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(oxan-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(4-fluorophenyl)-5-(oxan-2-yl)-1H-pyrazol-3-amine is Nc1n[nH]c(C2CCCCO2)c1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(oxan-2-yl)-1H-pyrazol-3-amine?
The InChIKey is ZFYNMVDFDSKDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-10-6-4-9(5-7-10)12-13(17-18-14(12)16)11-3-1-2-8-19-11/h4-7,11H,1-3,8H2,(H3,16,17,18).
What are the key properties of 4-(4-fluorophenyl)-5-(oxan-2-yl)-1H-pyrazol-3-amine?
4-(4-fluorophenyl)-5-(oxan-2-yl)-1H-pyrazol-3-amine has a molecular weight of 261.30 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(oxan-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 171807115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).