4-(4-fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1-methylpyrazol-5-amine

C16H16FN3O — CID 43158634

IUPAC4-(4-fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1-methylpyrazol-5-amine
SMILESCn1nc(CCc2ccco2)c(-c2ccc(F)cc2)c1N
InChIInChI=1S/C16H16FN3O/c1-20-16(18)15(11-4-6-12(17)7-5-11)14(19-20)9-8-13-3-2-10-21-13/h2-7,10H,8-9,18H2,1H3
InChIKeyLXRXOXBJEQCCNN-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.19
Rot. Bonds4

About 4-(4-fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1-methylpyrazol-5-amine

4-(4-fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1-methylpyrazol-5-amine (PubChem CID 43158634) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1-methylpyrazol-5-amine
PubChem CID43158634
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name4-(4-fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1-methylpyrazol-5-amine
SMILESCn1nc(CCc2ccco2)c(-c2ccc(F)cc2)c1N
InChIInChI=1S/C16H16FN3O/c1-20-16(18)15(11-4-6-12(17)7-5-11)14(19-20)9-8-13-3-2-10-21-13/h2-7,10H,8-9,18H2,1H3
InChIKeyLXRXOXBJEQCCNN-UHFFFAOYSA-N
XLogP3.19
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Furan-2-yl)-2-methyl-3,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 666158
5-Amino-3-methyl-4-phenylpyrazolyl 2-methyl(3-furyl) ketone
CID 1263280
3-(4-Chlorophenyl)-5-(furan-2-yl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 2980926
3-(Furan-2-yl)-1-(4-propan-2-ylphenyl)pyrazol-5-amine
CID 162668421
5-Amino-3-[(1Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-YL]eth-1-EN-1-YL]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
CID 5291683
5-amino-3-[(Z)-1-cyano-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 5289966
5-amino-3-[(Z)-1-cyano-2-[5-(2,4-difluorophenyl)-2-furyl]vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 5769357
2-[5-[(4-Fluoro-3-methoxyphenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
CID 75388911
N-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl](2-methyl(3-furyl))carboxamide
CID 24208113
4-fluoro-N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]benzamide
CID 71933977
2-(4-fluorophenyl)-N-(4-(furan-2-yl)-1-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
CID 136157594
1-[(2-Fluorophenyl)methyl]-3-(furan-2-yl)pyrazol-5-amine
CID 12018220

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-(4-fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1-methylpyrazol-5-amine (CID 43158634) is 4-(4-fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(4-fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1-methylpyrazol-5-amine is Cn1nc(CCc2ccco2)c(-c2ccc(F)cc2)c1N.
What is the InChIKey of 4-(4-fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1-methylpyrazol-5-amine?
The InChIKey is LXRXOXBJEQCCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-20-16(18)15(11-4-6-12(17)7-5-11)14(19-20)9-8-13-3-2-10-21-13/h2-7,10H,8-9,18H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1-methylpyrazol-5-amine?
4-(4-fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1-methylpyrazol-5-amine has a molecular weight of 285.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 43158634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).