3-[3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]naphthalen-2-ol

C16H12N4O — CID 155292913

IUPAC3-[3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]naphthalen-2-ol
SMILESOc1cc2ccccc2cc1-c1cc(-c2cn[nH]c2)n[nH]1
InChIInChI=1S/C16H12N4O/c21-16-6-11-4-2-1-3-10(11)5-13(16)15-7-14(19-20-15)12-8-17-18-9-12/h1-9,21H,(H,17,18)(H,19,20)
InChIKeyOJRFMGVTVFGDAY-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.33
Rot. Bonds2

About 3-[3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]naphthalen-2-ol

3-[3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]naphthalen-2-ol (PubChem CID 155292913) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-[3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]naphthalen-2-ol.

Molecular Properties

Compound Name3-[3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]naphthalen-2-ol
PubChem CID155292913
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name3-[3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]naphthalen-2-ol
SMILESOc1cc2ccccc2cc1-c1cc(-c2cn[nH]c2)n[nH]1
InChIInChI=1S/C16H12N4O/c21-16-6-11-4-2-1-3-10(11)5-13(16)15-7-14(19-20-15)12-8-17-18-9-12/h1-9,21H,(H,17,18)(H,19,20)
InChIKeyOJRFMGVTVFGDAY-UHFFFAOYSA-N
XLogP3.33
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Hydroxybenzindazole
CID 97667
5-(6-methoxy-2-naphthyl)-1H-pyrazole
CID 2740829
4-methyl-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol
CID 775994
5-methyl-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol
CID 775988
Naphthalen-1-ol, 2-(5-trifluoromethyl-1H-pyrazol-3-yl)-
CID 690724
4-(1H-indazol-6-yl)-2-methylphenol
CID 145950269
4-(1H-indazol-6-yl)-3-methylphenol
CID 145958601
3-(2-Hydroxy-5-methylphenyl)pyrazole
CID 2759320
4-Ethyl-2-(1H-pyrazol-3-yl)phenol
CID 135949929
4-propyl-2-(1H-pyrazol-5-yl)phenol
CID 155513564
6-{4-[5-(4-Fluorophenyl)-1,2-dihydro-3H-pyrazol-3-ylidene]-2,4-dihydro-3H-pyrazol-3-ylidene}cyclohexa-2,4-dien-1-one
CID 135436589
2-(Pyrazol-5-yl)-alpha-naphthol
CID 135518062

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]naphthalen-2-ol?
The IUPAC name of 3-[3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]naphthalen-2-ol (CID 155292913) is 3-[3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]naphthalen-2-ol.
What is the SMILES notation for 3-[3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]naphthalen-2-ol?
The canonical SMILES for 3-[3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]naphthalen-2-ol is Oc1cc2ccccc2cc1-c1cc(-c2cn[nH]c2)n[nH]1.
What is the InChIKey of 3-[3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]naphthalen-2-ol?
The InChIKey is OJRFMGVTVFGDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c21-16-6-11-4-2-1-3-10(11)5-13(16)15-7-14(19-20-15)12-8-17-18-9-12/h1-9,21H,(H,17,18)(H,19,20).
What are the key properties of 3-[3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]naphthalen-2-ol?
3-[3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]naphthalen-2-ol has a molecular weight of 276.30 g/mol, XLogP of 3.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-pyrazol-4-yl)-1H-pyrazol-5-yl]naphthalen-2-ol is sourced from PubChem (CID 155292913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).