(2E)-5-methyl-2-[(2-methylpyrazol-3-yl)methylidene]inden-1-ol

C15H14N2O — CID 137247134

IUPAC(2E)-5-methyl-2-[(2-methylpyrazol-3-yl)methylidene]inden-1-ol
SMILESCc1ccc2c(c1)=C/C(=C\c1ccnn1C)C=2O
InChIInChI=1S/C15H14N2O/c1-10-3-4-14-11(7-10)8-12(15(14)18)9-13-5-6-16-17(13)2/h3-9,18H,1-2H3/b12-9+
InChIKeyMOPNTIIQCFZBFL-FMIVXFBMSA-N
MW238.29 g/mol
LogP1.27
Rot. Bonds1

About (2E)-5-methyl-2-[(2-methylpyrazol-3-yl)methylidene]inden-1-ol

(2E)-5-methyl-2-[(2-methylpyrazol-3-yl)methylidene]inden-1-ol (PubChem CID 137247134) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is (2E)-5-methyl-2-[(2-methylpyrazol-3-yl)methylidene]inden-1-ol.

Molecular Properties

Compound Name(2E)-5-methyl-2-[(2-methylpyrazol-3-yl)methylidene]inden-1-ol
PubChem CID137247134
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name(2E)-5-methyl-2-[(2-methylpyrazol-3-yl)methylidene]inden-1-ol
SMILESCc1ccc2c(c1)=C/C(=C\c1ccnn1C)C=2O
InChIInChI=1S/C15H14N2O/c1-10-3-4-14-11(7-10)8-12(15(14)18)9-13-5-6-16-17(13)2/h3-9,18H,1-2H3/b12-9+
InChIKeyMOPNTIIQCFZBFL-FMIVXFBMSA-N
XLogP1.27
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2E)-5-methyl-2-[(2-methylpyrazol-3-yl)methylidene]inden-1-ol?
The IUPAC name of (2E)-5-methyl-2-[(2-methylpyrazol-3-yl)methylidene]inden-1-ol (CID 137247134) is (2E)-5-methyl-2-[(2-methylpyrazol-3-yl)methylidene]inden-1-ol.
What is the SMILES notation for (2E)-5-methyl-2-[(2-methylpyrazol-3-yl)methylidene]inden-1-ol?
The canonical SMILES for (2E)-5-methyl-2-[(2-methylpyrazol-3-yl)methylidene]inden-1-ol is Cc1ccc2c(c1)=C/C(=C\c1ccnn1C)C=2O.
What is the InChIKey of (2E)-5-methyl-2-[(2-methylpyrazol-3-yl)methylidene]inden-1-ol?
The InChIKey is MOPNTIIQCFZBFL-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H14N2O/c1-10-3-4-14-11(7-10)8-12(15(14)18)9-13-5-6-16-17(13)2/h3-9,18H,1-2H3/b12-9+.
What are the key properties of (2E)-5-methyl-2-[(2-methylpyrazol-3-yl)methylidene]inden-1-ol?
(2E)-5-methyl-2-[(2-methylpyrazol-3-yl)methylidene]inden-1-ol has a molecular weight of 238.29 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-methyl-2-[(2-methylpyrazol-3-yl)methylidene]inden-1-ol is sourced from PubChem (CID 137247134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).