5-[(1-methylpyrazol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

C16H20N2O — CID 82870193

IUPAC5-[(1-methylpyrazol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESCn1ccc(CC2(O)CCCCc3ccccc32)n1
InChIInChI=1S/C16H20N2O/c1-18-11-9-14(17-18)12-16(19)10-5-4-7-13-6-2-3-8-15(13)16/h2-3,6,8-9,11,19H,4-5,7,10,12H2,1H3
InChIKeyNRYIEPJRFDMGBZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.58
Rot. Bonds2

About 5-[(1-methylpyrazol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

5-[(1-methylpyrazol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (PubChem CID 82870193) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-[(1-methylpyrazol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.

Molecular Properties

Compound Name5-[(1-methylpyrazol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
PubChem CID82870193
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name5-[(1-methylpyrazol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESCn1ccc(CC2(O)CCCCc3ccccc32)n1
InChIInChI=1S/C16H20N2O/c1-18-11-9-14(17-18)12-16(19)10-5-4-7-13-6-2-3-8-15(13)16/h2-3,6,8-9,11,19H,4-5,7,10,12H2,1H3
InChIKeyNRYIEPJRFDMGBZ-UHFFFAOYSA-N
XLogP2.58
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 82870214
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroinden-1-ol
CID 64785216
5-benzyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 43809316
2-[(1-methylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-ol
CID 82870413
5-[(5-bromo-2-pyridinyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 104801482
5-[2-(1-methylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 103005740
1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
CID 82870094
2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
CID 82869700
5-[(2-chlorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 60799204
5-(furan-2-ylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 83173134
1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol
CID 79743743
2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 82871964

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpyrazol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The IUPAC name of 5-[(1-methylpyrazol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (CID 82870193) is 5-[(1-methylpyrazol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.
What is the SMILES notation for 5-[(1-methylpyrazol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The canonical SMILES for 5-[(1-methylpyrazol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is Cn1ccc(CC2(O)CCCCc3ccccc32)n1.
What is the InChIKey of 5-[(1-methylpyrazol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The InChIKey is NRYIEPJRFDMGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-18-11-9-14(17-18)12-16(19)10-5-4-7-13-6-2-3-8-15(13)16/h2-3,6,8-9,11,19H,4-5,7,10,12H2,1H3.
What are the key properties of 5-[(1-methylpyrazol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
5-[(1-methylpyrazol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol has a molecular weight of 256.35 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpyrazol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is sourced from PubChem (CID 82870193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).