4-chloro-5-(furan-3-yl)-1-methylpyrazole

C8H7ClN2O — CID 175897349

IUPAC4-chloro-5-(furan-3-yl)-1-methylpyrazole
SMILESCn1ncc(Cl)c1-c1ccoc1
InChIInChI=1S/C8H7ClN2O/c1-11-8(7(9)4-10-11)6-2-3-12-5-6/h2-5H,1H3
InChIKeyZEDXZAUADDVPGO-UHFFFAOYSA-N
MW182.61 g/mol
LogP2.33
Rot. Bonds1

About 4-chloro-5-(furan-3-yl)-1-methylpyrazole

4-chloro-5-(furan-3-yl)-1-methylpyrazole (PubChem CID 175897349) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is 4-chloro-5-(furan-3-yl)-1-methylpyrazole.

Molecular Properties

Compound Name4-chloro-5-(furan-3-yl)-1-methylpyrazole
PubChem CID175897349
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name4-chloro-5-(furan-3-yl)-1-methylpyrazole
SMILESCn1ncc(Cl)c1-c1ccoc1
InChIInChI=1S/C8H7ClN2O/c1-11-8(7(9)4-10-11)6-2-3-12-5-6/h2-5H,1H3
InChIKeyZEDXZAUADDVPGO-UHFFFAOYSA-N
XLogP2.33
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(furan-3-yl)-1-methylpyrazole?
The IUPAC name of 4-chloro-5-(furan-3-yl)-1-methylpyrazole (CID 175897349) is 4-chloro-5-(furan-3-yl)-1-methylpyrazole.
What is the SMILES notation for 4-chloro-5-(furan-3-yl)-1-methylpyrazole?
The canonical SMILES for 4-chloro-5-(furan-3-yl)-1-methylpyrazole is Cn1ncc(Cl)c1-c1ccoc1.
What is the InChIKey of 4-chloro-5-(furan-3-yl)-1-methylpyrazole?
The InChIKey is ZEDXZAUADDVPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O/c1-11-8(7(9)4-10-11)6-2-3-12-5-6/h2-5H,1H3.
What are the key properties of 4-chloro-5-(furan-3-yl)-1-methylpyrazole?
4-chloro-5-(furan-3-yl)-1-methylpyrazole has a molecular weight of 182.61 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(furan-3-yl)-1-methylpyrazole is sourced from PubChem (CID 175897349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).