5-[5-(4-chlorophenyl)-2-methylfuran-3-yl]-1H-pyrazole

C14H11ClN2O — CID 2742189

IUPAC5-[5-(4-chlorophenyl)-2-methylfuran-3-yl]-1H-pyrazole
SMILESCc1oc(-c2ccc(Cl)cc2)cc1-c1ccn[nH]1
InChIInChI=1S/C14H11ClN2O/c1-9-12(13-6-7-16-17-13)8-14(18-9)10-2-4-11(15)5-3-10/h2-8H,1H3,(H,16,17)
InChIKeyUJACJICMLOOCPN-UHFFFAOYSA-N
MW258.71 g/mol
LogP4.30
Rot. Bonds2

About 5-[5-(4-chlorophenyl)-2-methylfuran-3-yl]-1H-pyrazole

5-[5-(4-chlorophenyl)-2-methylfuran-3-yl]-1H-pyrazole (PubChem CID 2742189) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 5-[5-(4-chlorophenyl)-2-methylfuran-3-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[5-(4-chlorophenyl)-2-methylfuran-3-yl]-1H-pyrazole
PubChem CID2742189
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name5-[5-(4-chlorophenyl)-2-methylfuran-3-yl]-1H-pyrazole
SMILESCc1oc(-c2ccc(Cl)cc2)cc1-c1ccn[nH]1
InChIInChI=1S/C14H11ClN2O/c1-9-12(13-6-7-16-17-13)8-14(18-9)10-2-4-11(15)5-3-10/h2-8H,1H3,(H,16,17)
InChIKeyUJACJICMLOOCPN-UHFFFAOYSA-N
XLogP4.30
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-chlorophenyl)-2-methylfuran-3-yl]-1H-pyrazole?
The IUPAC name of 5-[5-(4-chlorophenyl)-2-methylfuran-3-yl]-1H-pyrazole (CID 2742189) is 5-[5-(4-chlorophenyl)-2-methylfuran-3-yl]-1H-pyrazole.
What is the SMILES notation for 5-[5-(4-chlorophenyl)-2-methylfuran-3-yl]-1H-pyrazole?
The canonical SMILES for 5-[5-(4-chlorophenyl)-2-methylfuran-3-yl]-1H-pyrazole is Cc1oc(-c2ccc(Cl)cc2)cc1-c1ccn[nH]1.
What is the InChIKey of 5-[5-(4-chlorophenyl)-2-methylfuran-3-yl]-1H-pyrazole?
The InChIKey is UJACJICMLOOCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-9-12(13-6-7-16-17-13)8-14(18-9)10-2-4-11(15)5-3-10/h2-8H,1H3,(H,16,17).
What are the key properties of 5-[5-(4-chlorophenyl)-2-methylfuran-3-yl]-1H-pyrazole?
5-[5-(4-chlorophenyl)-2-methylfuran-3-yl]-1H-pyrazole has a molecular weight of 258.71 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-chlorophenyl)-2-methylfuran-3-yl]-1H-pyrazole is sourced from PubChem (CID 2742189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).