2-(5-amino-1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol

C15H19N3O — CID 117397009

IUPAC2-(5-amino-1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
SMILESCn1ncc(-c2cc3c(cc2O)CCCCC3)c1N
InChIInChI=1S/C15H19N3O/c1-18-15(16)13(9-17-18)12-7-10-5-3-2-4-6-11(10)8-14(12)19/h7-9,19H,2-6,16H2,1H3
InChIKeyGPMFSRIFUOWRQT-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.64
Rot. Bonds1

About 2-(5-amino-1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol

2-(5-amino-1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol (PubChem CID 117397009) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(5-amino-1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol.

Molecular Properties

Compound Name2-(5-amino-1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
PubChem CID117397009
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(5-amino-1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
SMILESCn1ncc(-c2cc3c(cc2O)CCCCC3)c1N
InChIInChI=1S/C15H19N3O/c1-18-15(16)13(9-17-18)12-7-10-5-3-2-4-6-11(10)8-14(12)19/h7-9,19H,2-6,16H2,1H3
InChIKeyGPMFSRIFUOWRQT-UHFFFAOYSA-N
XLogP2.64
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117471267
2-(5-amino-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117360393
3-(5-amino-1-methylpyrazol-4-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117445259
2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol
CID 117309642
2-(5-amino-1-methylpyrazol-4-yl)-4-methylphenol
CID 117291763
3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 58219551
2-(5-amino-1-methylpyrazol-4-yl)phenol
CID 105422844
2-(5-amino-1-methylpyrazol-4-yl)-5-fluorophenol
CID 117295558
2-(5-amino-1-methylpyrazol-4-yl)-5-methylsulfanylphenol
CID 117342713
2-(5-amino-1-methylpyrazol-4-yl)-5-(difluoromethyl)phenol
CID 117350179
4-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrazol-5-amine
CID 117330819
3-(5-amino-1-methylpyrazol-4-yl)-5-bromobenzene-1,2-diol
CID 117456733

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
The IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol (CID 117397009) is 2-(5-amino-1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol.
What is the SMILES notation for 2-(5-amino-1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
The canonical SMILES for 2-(5-amino-1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol is Cn1ncc(-c2cc3c(cc2O)CCCCC3)c1N.
What is the InChIKey of 2-(5-amino-1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
The InChIKey is GPMFSRIFUOWRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18-15(16)13(9-17-18)12-7-10-5-3-2-4-6-11(10)8-14(12)19/h7-9,19H,2-6,16H2,1H3.
What are the key properties of 2-(5-amino-1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
2-(5-amino-1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol has a molecular weight of 257.34 g/mol, XLogP of 2.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol is sourced from PubChem (CID 117397009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).