1-(1H-pyrazol-5-yl)-10H-anthracen-9-one

C17H12N2O — CID 101318503

IUPAC1-(1H-pyrazol-5-yl)-10H-anthracen-9-one
SMILESO=C1c2ccccc2Cc2cccc(-c3ccn[nH]3)c21
InChIInChI=1S/C17H12N2O/c20-17-13-6-2-1-4-11(13)10-12-5-3-7-14(16(12)17)15-8-9-18-19-15/h1-9H,10H2,(H,18,19)
InChIKeyIJQKHZIMFBVLRK-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.21
Rot. Bonds1

About 1-(1H-pyrazol-5-yl)-10H-anthracen-9-one

1-(1H-pyrazol-5-yl)-10H-anthracen-9-one (PubChem CID 101318503) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-yl)-10H-anthracen-9-one.

Molecular Properties

Compound Name1-(1H-pyrazol-5-yl)-10H-anthracen-9-one
PubChem CID101318503
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name1-(1H-pyrazol-5-yl)-10H-anthracen-9-one
SMILESO=C1c2ccccc2Cc2cccc(-c3ccn[nH]3)c21
InChIInChI=1S/C17H12N2O/c20-17-13-6-2-1-4-11(13)10-12-5-3-7-14(16(12)17)15-8-9-18-19-15/h1-9H,10H2,(H,18,19)
InChIKeyIJQKHZIMFBVLRK-UHFFFAOYSA-N
XLogP3.21
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
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5H-anthra[1,2-c]diazet-10-one
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7-(1H-pyrazol-5-yl)-3H-indazole
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10H-anthracen-9-one;fluoren-9-one
CID 67642372
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CID 22730975
10H-anthracen-9-one;ethane;methanol
CID 90976205
5-naphthalen-1-yl-1H-pyrazole
CID 174464397
5-naphthalen-1-yl-1H-pyrazole
CID 2737035
1-(9H-fluoren-1-yl)anthracene-9,10-dione
CID 141480667
1-(2-chloroethylsulfanyl)-10H-anthracen-9-one
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CID 70009381

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-yl)-10H-anthracen-9-one?
The IUPAC name of 1-(1H-pyrazol-5-yl)-10H-anthracen-9-one (CID 101318503) is 1-(1H-pyrazol-5-yl)-10H-anthracen-9-one.
What is the SMILES notation for 1-(1H-pyrazol-5-yl)-10H-anthracen-9-one?
The canonical SMILES for 1-(1H-pyrazol-5-yl)-10H-anthracen-9-one is O=C1c2ccccc2Cc2cccc(-c3ccn[nH]3)c21.
What is the InChIKey of 1-(1H-pyrazol-5-yl)-10H-anthracen-9-one?
The InChIKey is IJQKHZIMFBVLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c20-17-13-6-2-1-4-11(13)10-12-5-3-7-14(16(12)17)15-8-9-18-19-15/h1-9H,10H2,(H,18,19).
What are the key properties of 1-(1H-pyrazol-5-yl)-10H-anthracen-9-one?
1-(1H-pyrazol-5-yl)-10H-anthracen-9-one has a molecular weight of 260.30 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-yl)-10H-anthracen-9-one is sourced from PubChem (CID 101318503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).