2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol

C19H16N4O — CID 135458161

IUPAC2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol
SMILESCc1ccc(-c2cc(-c3cn[nH]c3-c3ccccc3O)[nH]n2)cc1
InChIInChI=1S/C19H16N4O/c1-12-6-8-13(9-7-12)16-10-17(22-21-16)15-11-20-23-19(15)14-4-2-3-5-18(14)24/h2-11,24H,1H3,(H,20,23)(H,21,22)
InChIKeyFNRYERNHHUEZAX-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.15
Rot. Bonds3

About 2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol

2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol (PubChem CID 135458161) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol
PubChem CID135458161
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol
SMILESCc1ccc(-c2cc(-c3cn[nH]c3-c3ccccc3O)[nH]n2)cc1
InChIInChI=1S/C19H16N4O/c1-12-6-8-13(9-7-12)16-10-17(22-21-16)15-11-20-23-19(15)14-4-2-3-5-18(14)24/h2-11,24H,1H3,(H,20,23)(H,21,22)
InChIKeyFNRYERNHHUEZAX-UHFFFAOYSA-N
XLogP4.15
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol?
The IUPAC name of 2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol (CID 135458161) is 2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol is Cc1ccc(-c2cc(-c3cn[nH]c3-c3ccccc3O)[nH]n2)cc1.
What is the InChIKey of 2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol?
The InChIKey is FNRYERNHHUEZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-12-6-8-13(9-7-12)16-10-17(22-21-16)15-11-20-23-19(15)14-4-2-3-5-18(14)24/h2-11,24H,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol?
2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol has a molecular weight of 316.36 g/mol, XLogP of 4.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 135458161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).