3-methyl-5-[1-methyl-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-5-yl]phenol

C21H18N4O — CID 155805804

IUPAC3-methyl-5-[1-methyl-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-5-yl]phenol
SMILESCc1cc(O)cc(-c2c(-c3ccnc(-c4cccnc4)c3)cnn2C)c1
InChIInChI=1S/C21H18N4O/c1-14-8-17(10-18(26)9-14)21-19(13-24-25(21)2)15-5-7-23-20(11-15)16-4-3-6-22-12-16/h3-13,26H,1-2H3
InChIKeyNGAYNISJCWTMRN-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.23
Rot. Bonds3

About 3-methyl-5-[1-methyl-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-5-yl]phenol

3-methyl-5-[1-methyl-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-5-yl]phenol (PubChem CID 155805804) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-methyl-5-[1-methyl-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-5-yl]phenol.

Molecular Properties

Compound Name3-methyl-5-[1-methyl-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-5-yl]phenol
PubChem CID155805804
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name3-methyl-5-[1-methyl-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-5-yl]phenol
SMILESCc1cc(O)cc(-c2c(-c3ccnc(-c4cccnc4)c3)cnn2C)c1
InChIInChI=1S/C21H18N4O/c1-14-8-17(10-18(26)9-14)21-19(13-24-25(21)2)15-5-7-23-20(11-15)16-4-3-6-22-12-16/h3-13,26H,1-2H3
InChIKeyNGAYNISJCWTMRN-UHFFFAOYSA-N
XLogP4.23
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[1-methyl-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-5-yl]phenol?
The IUPAC name of 3-methyl-5-[1-methyl-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-5-yl]phenol (CID 155805804) is 3-methyl-5-[1-methyl-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-5-yl]phenol.
What is the SMILES notation for 3-methyl-5-[1-methyl-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-5-yl]phenol?
The canonical SMILES for 3-methyl-5-[1-methyl-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-5-yl]phenol is Cc1cc(O)cc(-c2c(-c3ccnc(-c4cccnc4)c3)cnn2C)c1.
What is the InChIKey of 3-methyl-5-[1-methyl-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-5-yl]phenol?
The InChIKey is NGAYNISJCWTMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-8-17(10-18(26)9-14)21-19(13-24-25(21)2)15-5-7-23-20(11-15)16-4-3-6-22-12-16/h3-13,26H,1-2H3.
What are the key properties of 3-methyl-5-[1-methyl-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-5-yl]phenol?
3-methyl-5-[1-methyl-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-5-yl]phenol has a molecular weight of 342.40 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-methyl-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-5-yl]phenol is sourced from PubChem (CID 155805804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).