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

C14H11F2N3O — CID 61496514

IUPAC4-(3,5-difluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine
SMILESCc1occc1-c1[nH]nc(N)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C14H11F2N3O/c1-7-11(2-3-20-7)13-12(14(17)19-18-13)8-4-9(15)6-10(16)5-8/h2-6H,1H3,(H3,17,18,19)
InChIKeySHYDKTPXJWXKHE-UHFFFAOYSA-N
MW275.26 g/mol
LogP3.51
Rot. Bonds2

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

4-(3,5-difluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine (PubChem CID 61496514) has the molecular formula C14H11F2N3O and a molecular weight of 275.26 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine
PubChem CID61496514
Molecular FormulaC14H11F2N3O
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name4-(3,5-difluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine
SMILESCc1occc1-c1[nH]nc(N)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C14H11F2N3O/c1-7-11(2-3-20-7)13-12(14(17)19-18-13)8-4-9(15)6-10(16)5-8/h2-6H,1H3,(H3,17,18,19)
InChIKeySHYDKTPXJWXKHE-UHFFFAOYSA-N
XLogP3.51
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrazole_amino_A(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3,5-difluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine (CID 61496514) is 4-(3,5-difluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3,5-difluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3,5-difluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine is Cc1occc1-c1[nH]nc(N)c1-c1cc(F)cc(F)c1.
What is the InChIKey of 4-(3,5-difluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine?
The InChIKey is SHYDKTPXJWXKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O/c1-7-11(2-3-20-7)13-12(14(17)19-18-13)8-4-9(15)6-10(16)5-8/h2-6H,1H3,(H3,17,18,19).
What are the key properties of 4-(3,5-difluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine?
4-(3,5-difluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine has a molecular weight of 275.26 g/mol, XLogP of 3.51, 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-(2-methylfuran-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 61496514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).