2-[[3-[4-(furan-2-yl)phenyl]-5-methyl-1H-pyrazol-4-yl]methyl]phenol

C21H18N2O2 — CID 121269542

IUPAC2-[[3-[4-(furan-2-yl)phenyl]-5-methyl-1H-pyrazol-4-yl]methyl]phenol
SMILESCc1[nH]nc(-c2ccc(-c3ccco3)cc2)c1Cc1ccccc1O
InChIInChI=1S/C21H18N2O2/c1-14-18(13-17-5-2-3-6-19(17)24)21(23-22-14)16-10-8-15(9-11-16)20-7-4-12-25-20/h2-12,24H,13H2,1H3,(H,22,23)
InChIKeyXYUXISHYIXJCPU-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.94
Rot. Bonds4

About 2-[[3-[4-(furan-2-yl)phenyl]-5-methyl-1H-pyrazol-4-yl]methyl]phenol

2-[[3-[4-(furan-2-yl)phenyl]-5-methyl-1H-pyrazol-4-yl]methyl]phenol (PubChem CID 121269542) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[[3-[4-(furan-2-yl)phenyl]-5-methyl-1H-pyrazol-4-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[3-[4-(furan-2-yl)phenyl]-5-methyl-1H-pyrazol-4-yl]methyl]phenol
PubChem CID121269542
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name2-[[3-[4-(furan-2-yl)phenyl]-5-methyl-1H-pyrazol-4-yl]methyl]phenol
SMILESCc1[nH]nc(-c2ccc(-c3ccco3)cc2)c1Cc1ccccc1O
InChIInChI=1S/C21H18N2O2/c1-14-18(13-17-5-2-3-6-19(17)24)21(23-22-14)16-10-8-15(9-11-16)20-7-4-12-25-20/h2-12,24H,13H2,1H3,(H,22,23)
InChIKeyXYUXISHYIXJCPU-UHFFFAOYSA-N
XLogP4.94
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[4-(furan-2-yl)phenyl]-5-methyl-1H-pyrazol-4-yl]methyl]phenol?
The IUPAC name of 2-[[3-[4-(furan-2-yl)phenyl]-5-methyl-1H-pyrazol-4-yl]methyl]phenol (CID 121269542) is 2-[[3-[4-(furan-2-yl)phenyl]-5-methyl-1H-pyrazol-4-yl]methyl]phenol.
What is the SMILES notation for 2-[[3-[4-(furan-2-yl)phenyl]-5-methyl-1H-pyrazol-4-yl]methyl]phenol?
The canonical SMILES for 2-[[3-[4-(furan-2-yl)phenyl]-5-methyl-1H-pyrazol-4-yl]methyl]phenol is Cc1[nH]nc(-c2ccc(-c3ccco3)cc2)c1Cc1ccccc1O.
What is the InChIKey of 2-[[3-[4-(furan-2-yl)phenyl]-5-methyl-1H-pyrazol-4-yl]methyl]phenol?
The InChIKey is XYUXISHYIXJCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-14-18(13-17-5-2-3-6-19(17)24)21(23-22-14)16-10-8-15(9-11-16)20-7-4-12-25-20/h2-12,24H,13H2,1H3,(H,22,23).
What are the key properties of 2-[[3-[4-(furan-2-yl)phenyl]-5-methyl-1H-pyrazol-4-yl]methyl]phenol?
2-[[3-[4-(furan-2-yl)phenyl]-5-methyl-1H-pyrazol-4-yl]methyl]phenol has a molecular weight of 330.39 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[4-(furan-2-yl)phenyl]-5-methyl-1H-pyrazol-4-yl]methyl]phenol is sourced from PubChem (CID 121269542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).