3-[6-(2-methylpyrazol-3-yl)-4-pyrrolidin-1-ylbenzotriazol-1-yl]phenol

C20H20N6O — CID 155565469

IUPAC3-[6-(2-methylpyrazol-3-yl)-4-pyrrolidin-1-ylbenzotriazol-1-yl]phenol
SMILESCn1nccc1-c1cc(N2CCCC2)c2nnn(-c3cccc(O)c3)c2c1
InChIInChI=1S/C20H20N6O/c1-24-17(7-8-21-24)14-11-18(25-9-2-3-10-25)20-19(12-14)26(23-22-20)15-5-4-6-16(27)13-15/h4-8,11-13,27H,2-3,9-10H2,1H3
InChIKeyLQEWFOCYACUNCI-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.13
Rot. Bonds3

About 3-[6-(2-methylpyrazol-3-yl)-4-pyrrolidin-1-ylbenzotriazol-1-yl]phenol

3-[6-(2-methylpyrazol-3-yl)-4-pyrrolidin-1-ylbenzotriazol-1-yl]phenol (PubChem CID 155565469) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-[6-(2-methylpyrazol-3-yl)-4-pyrrolidin-1-ylbenzotriazol-1-yl]phenol.

Molecular Properties

Compound Name3-[6-(2-methylpyrazol-3-yl)-4-pyrrolidin-1-ylbenzotriazol-1-yl]phenol
PubChem CID155565469
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name3-[6-(2-methylpyrazol-3-yl)-4-pyrrolidin-1-ylbenzotriazol-1-yl]phenol
SMILESCn1nccc1-c1cc(N2CCCC2)c2nnn(-c3cccc(O)c3)c2c1
InChIInChI=1S/C20H20N6O/c1-24-17(7-8-21-24)14-11-18(25-9-2-3-10-25)20-19(12-14)26(23-22-20)15-5-4-6-16(27)13-15/h4-8,11-13,27H,2-3,9-10H2,1H3
InChIKeyLQEWFOCYACUNCI-UHFFFAOYSA-N
XLogP3.13
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-methylpyrazol-3-yl)-4-pyrrolidin-1-ylbenzotriazol-1-yl]phenol?
The IUPAC name of 3-[6-(2-methylpyrazol-3-yl)-4-pyrrolidin-1-ylbenzotriazol-1-yl]phenol (CID 155565469) is 3-[6-(2-methylpyrazol-3-yl)-4-pyrrolidin-1-ylbenzotriazol-1-yl]phenol.
What is the SMILES notation for 3-[6-(2-methylpyrazol-3-yl)-4-pyrrolidin-1-ylbenzotriazol-1-yl]phenol?
The canonical SMILES for 3-[6-(2-methylpyrazol-3-yl)-4-pyrrolidin-1-ylbenzotriazol-1-yl]phenol is Cn1nccc1-c1cc(N2CCCC2)c2nnn(-c3cccc(O)c3)c2c1.
What is the InChIKey of 3-[6-(2-methylpyrazol-3-yl)-4-pyrrolidin-1-ylbenzotriazol-1-yl]phenol?
The InChIKey is LQEWFOCYACUNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-24-17(7-8-21-24)14-11-18(25-9-2-3-10-25)20-19(12-14)26(23-22-20)15-5-4-6-16(27)13-15/h4-8,11-13,27H,2-3,9-10H2,1H3.
What are the key properties of 3-[6-(2-methylpyrazol-3-yl)-4-pyrrolidin-1-ylbenzotriazol-1-yl]phenol?
3-[6-(2-methylpyrazol-3-yl)-4-pyrrolidin-1-ylbenzotriazol-1-yl]phenol has a molecular weight of 360.42 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-methylpyrazol-3-yl)-4-pyrrolidin-1-ylbenzotriazol-1-yl]phenol is sourced from PubChem (CID 155565469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).