1-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)pyrazol-5-amine

C14H12FN3O — CID 63860689

IUPAC1-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)pyrazol-5-amine
SMILESCc1cc(F)ccc1-n1nc(-c2ccco2)cc1N
InChIInChI=1S/C14H12FN3O/c1-9-7-10(15)4-5-12(9)18-14(16)8-11(17-18)13-3-2-6-19-13/h2-8H,16H2,1H3
InChIKeyHORJEFXSGMAXRO-UHFFFAOYSA-N
MW257.27 g/mol
LogP3.16
Rot. Bonds2

About 1-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)pyrazol-5-amine

1-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)pyrazol-5-amine (PubChem CID 63860689) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)pyrazol-5-amine
PubChem CID63860689
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name1-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)pyrazol-5-amine
SMILESCc1cc(F)ccc1-n1nc(-c2ccco2)cc1N
InChIInChI=1S/C14H12FN3O/c1-9-7-10(15)4-5-12(9)18-14(16)8-11(17-18)13-3-2-6-19-13/h2-8H,16H2,1H3
InChIKeyHORJEFXSGMAXRO-UHFFFAOYSA-N
XLogP3.16
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-1-(4-fluoro-2-methylphenyl)pyrazol-5-amine
CID 63860690
3-(furan-2-yl)-1-(3,4,5-trifluorophenyl)pyrazol-5-amine
CID 79194735
1-(2-bromophenyl)-3-(furan-2-yl)pyrazol-5-amine
CID 43542912
3-(furan-2-yl)-1-pyrimidin-2-ylpyrazol-5-amine
CID 43531912
1-(3-bromophenyl)-3-(furan-2-yl)pyrazol-5-amine
CID 43542763
1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-amine
CID 43381660
[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1053794
1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylate
CID 6946088
trans-(1R,2R)-N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 167966239
1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazol-5-amine
CID 61271706
5-amino-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxylic acid
CID 153408760
1-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)pyrazol-3-amine
CID 79872711

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)pyrazol-5-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)pyrazol-5-amine (CID 63860689) is 1-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)pyrazol-5-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)pyrazol-5-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)pyrazol-5-amine is Cc1cc(F)ccc1-n1nc(-c2ccco2)cc1N.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)pyrazol-5-amine?
The InChIKey is HORJEFXSGMAXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-9-7-10(15)4-5-12(9)18-14(16)8-11(17-18)13-3-2-6-19-13/h2-8H,16H2,1H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)pyrazol-5-amine?
1-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)pyrazol-5-amine has a molecular weight of 257.27 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)pyrazol-5-amine is sourced from PubChem (CID 63860689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).