2-[(1-methylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-ol

C14H16N2O — CID 82870413

IUPAC2-[(1-methylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-ol
SMILESCn1ccc(CC2(O)Cc3ccccc3C2)n1
InChIInChI=1S/C14H16N2O/c1-16-7-6-13(15-16)10-14(17)8-11-4-2-3-5-12(11)9-14/h2-7,17H,8-10H2,1H3
InChIKeyPKKQCHOEGYKIIH-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.49
Rot. Bonds2

About 2-[(1-methylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-ol

2-[(1-methylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-ol (PubChem CID 82870413) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name2-[(1-methylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-ol
PubChem CID82870413
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name2-[(1-methylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-ol
SMILESCn1ccc(CC2(O)Cc3ccccc3C2)n1
InChIInChI=1S/C14H16N2O/c1-16-7-6-13(15-16)10-14(17)8-11-4-2-3-5-12(11)9-14/h2-7,17H,8-10H2,1H3
InChIKeyPKKQCHOEGYKIIH-UHFFFAOYSA-N
XLogP1.49
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-ol?
The IUPAC name of 2-[(1-methylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-ol (CID 82870413) is 2-[(1-methylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-ol.
What is the SMILES notation for 2-[(1-methylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-ol?
The canonical SMILES for 2-[(1-methylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-ol is Cn1ccc(CC2(O)Cc3ccccc3C2)n1.
What is the InChIKey of 2-[(1-methylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-ol?
The InChIKey is PKKQCHOEGYKIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-16-7-6-13(15-16)10-14(17)8-11-4-2-3-5-12(11)9-14/h2-7,17H,8-10H2,1H3.
What are the key properties of 2-[(1-methylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-ol?
2-[(1-methylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-ol has a molecular weight of 228.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-ol is sourced from PubChem (CID 82870413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).