1-[4-fluoro-2-(furan-2-yl)phenyl]-4-methylpyrazole

C14H11FN2O — CID 168527335

IUPAC1-[4-fluoro-2-(furan-2-yl)phenyl]-4-methylpyrazole
SMILESCc1cnn(-c2ccc(F)cc2-c2ccco2)c1
InChIInChI=1S/C14H11FN2O/c1-10-8-16-17(9-10)13-5-4-11(15)7-12(13)14-3-2-6-18-14/h2-9H,1H3
InChIKeyRZSYPLQHAKVUQT-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.58
Rot. Bonds2

About 1-[4-fluoro-2-(furan-2-yl)phenyl]-4-methylpyrazole

1-[4-fluoro-2-(furan-2-yl)phenyl]-4-methylpyrazole (PubChem CID 168527335) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 1-[4-fluoro-2-(furan-2-yl)phenyl]-4-methylpyrazole.

Molecular Properties

Compound Name1-[4-fluoro-2-(furan-2-yl)phenyl]-4-methylpyrazole
PubChem CID168527335
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name1-[4-fluoro-2-(furan-2-yl)phenyl]-4-methylpyrazole
SMILESCc1cnn(-c2ccc(F)cc2-c2ccco2)c1
InChIInChI=1S/C14H11FN2O/c1-10-8-16-17(9-10)13-5-4-11(15)7-12(13)14-3-2-6-18-14/h2-9H,1H3
InChIKeyRZSYPLQHAKVUQT-UHFFFAOYSA-N
XLogP3.58
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-fluoro-2-(furan-2-yl)phenyl]-4-methylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-fluoro-4-(furan-2-yl)phenyl]-4-methylpyrazole
CID 168526099
1-[2-chloro-4-(furan-2-yl)phenyl]-4-methylpyrazole
CID 168527846
N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 146132437
4-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole
CID 168526787
4-chloro-1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole
CID 168526551
4-methyl-1-(2-methylphenyl)pyrazole
CID 12902538
2-(2,3-difluoro-4-methylphenyl)furan
CID 168528076
1-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)pyrazol-5-amine
CID 63860689
1-[3-fluoro-4-(furan-2-yl)phenyl]-4-methyltriazole
CID 168526998
4-(2,4-difluorophenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole
CID 32501061
3-(furan-2-yl)-1,4-dimethylpyrrole
CID 141307335
3-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole
CID 168528058

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(furan-2-yl)phenyl]-4-methylpyrazole?
The IUPAC name of 1-[4-fluoro-2-(furan-2-yl)phenyl]-4-methylpyrazole (CID 168527335) is 1-[4-fluoro-2-(furan-2-yl)phenyl]-4-methylpyrazole.
What is the SMILES notation for 1-[4-fluoro-2-(furan-2-yl)phenyl]-4-methylpyrazole?
The canonical SMILES for 1-[4-fluoro-2-(furan-2-yl)phenyl]-4-methylpyrazole is Cc1cnn(-c2ccc(F)cc2-c2ccco2)c1.
What is the InChIKey of 1-[4-fluoro-2-(furan-2-yl)phenyl]-4-methylpyrazole?
The InChIKey is RZSYPLQHAKVUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c1-10-8-16-17(9-10)13-5-4-11(15)7-12(13)14-3-2-6-18-14/h2-9H,1H3.
What are the key properties of 1-[4-fluoro-2-(furan-2-yl)phenyl]-4-methylpyrazole?
1-[4-fluoro-2-(furan-2-yl)phenyl]-4-methylpyrazole has a molecular weight of 242.25 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(furan-2-yl)phenyl]-4-methylpyrazole is sourced from PubChem (CID 168527335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).