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

C13H9F2N3O — CID 61496364

IUPAC4-(3,5-difluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccoc2)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C13H9F2N3O/c14-9-3-8(4-10(15)5-9)11-12(17-18-13(11)16)7-1-2-19-6-7/h1-6H,(H3,16,17,18)
InChIKeyVJMFMPJKSXPQRT-UHFFFAOYSA-N
MW261.23 g/mol
LogP3.20
Rot. Bonds2

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

4-(3,5-difluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine (PubChem CID 61496364) has the molecular formula C13H9F2N3O and a molecular weight of 261.23 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine
PubChem CID61496364
Molecular FormulaC13H9F2N3O
Molecular Weight261.23 g/mol
Exact Mass261.07
IUPAC Name4-(3,5-difluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccoc2)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C13H9F2N3O/c14-9-3-8(4-10(15)5-9)11-12(17-18-13(11)16)7-1-2-19-6-7/h1-6H,(H3,16,17,18)
InChIKeyVJMFMPJKSXPQRT-UHFFFAOYSA-N
XLogP3.20
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3,5-difluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine (CID 61496364) is 4-(3,5-difluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3,5-difluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3,5-difluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccoc2)c1-c1cc(F)cc(F)c1.
What is the InChIKey of 4-(3,5-difluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine?
The InChIKey is VJMFMPJKSXPQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O/c14-9-3-8(4-10(15)5-9)11-12(17-18-13(11)16)7-1-2-19-6-7/h1-6H,(H3,16,17,18).
What are the key properties of 4-(3,5-difluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine?
4-(3,5-difluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine has a molecular weight of 261.23 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 61496364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).