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

C14H11ClN2O — CID 168527846

IUPAC1-[2-chloro-4-(furan-2-yl)phenyl]-4-methylpyrazole
SMILESCc1cnn(-c2ccc(-c3ccco3)cc2Cl)c1
InChIInChI=1S/C14H11ClN2O/c1-10-8-16-17(9-10)13-5-4-11(7-12(13)15)14-3-2-6-18-14/h2-9H,1H3
InChIKeyICTMWTFNDZDXTK-UHFFFAOYSA-N
MW258.71 g/mol
LogP4.09
Rot. Bonds2

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

1-[2-chloro-4-(furan-2-yl)phenyl]-4-methylpyrazole (PubChem CID 168527846) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 1-[2-chloro-4-(furan-2-yl)phenyl]-4-methylpyrazole.

Molecular Properties

Compound Name1-[2-chloro-4-(furan-2-yl)phenyl]-4-methylpyrazole
PubChem CID168527846
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name1-[2-chloro-4-(furan-2-yl)phenyl]-4-methylpyrazole
SMILESCc1cnn(-c2ccc(-c3ccco3)cc2Cl)c1
InChIInChI=1S/C14H11ClN2O/c1-10-8-16-17(9-10)13-5-4-11(7-12(13)15)14-3-2-6-18-14/h2-9H,1H3
InChIKeyICTMWTFNDZDXTK-UHFFFAOYSA-N
XLogP4.09
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-4-(furan-2-yl)phenyl]-4-methylpyrazole
CID 168526099
1-[4-fluoro-2-(furan-2-yl)phenyl]-4-methylpyrazole
CID 168527335
4-chloro-1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole
CID 168526551
3-chloro-4-(4-methylpyrazol-1-yl)phenol
CID 70819185
1-(4-bromo-2-chlorophenyl)-4-methylpyrazole
CID 84713061
1-[2-chloro-4-(chloromethyl)phenyl]-4-methylpyrazole
CID 81152621
N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 146132437
4-methyl-1-(2-methylphenyl)pyrazole
CID 12902538
2-(4-chloro-3,5-dimethylphenyl)furan
CID 168527809
1-(2,4-dichlorophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 43324338
2-(3-chloro-4-propoxyphenyl)furan
CID 168525179
2-chloro-4-(furan-2-yl)-N-methylbenzamide
CID 168525512

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(furan-2-yl)phenyl]-4-methylpyrazole?
The IUPAC name of 1-[2-chloro-4-(furan-2-yl)phenyl]-4-methylpyrazole (CID 168527846) is 1-[2-chloro-4-(furan-2-yl)phenyl]-4-methylpyrazole.
What is the SMILES notation for 1-[2-chloro-4-(furan-2-yl)phenyl]-4-methylpyrazole?
The canonical SMILES for 1-[2-chloro-4-(furan-2-yl)phenyl]-4-methylpyrazole is Cc1cnn(-c2ccc(-c3ccco3)cc2Cl)c1.
What is the InChIKey of 1-[2-chloro-4-(furan-2-yl)phenyl]-4-methylpyrazole?
The InChIKey is ICTMWTFNDZDXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-10-8-16-17(9-10)13-5-4-11(7-12(13)15)14-3-2-6-18-14/h2-9H,1H3.
What are the key properties of 1-[2-chloro-4-(furan-2-yl)phenyl]-4-methylpyrazole?
1-[2-chloro-4-(furan-2-yl)phenyl]-4-methylpyrazole has a molecular weight of 258.71 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(furan-2-yl)phenyl]-4-methylpyrazole is sourced from PubChem (CID 168527846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).