3-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]phenol

C19H17N5O2 — CID 56714375

IUPAC3-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]phenol
SMILESCOc1cccc(-n2cc(Cn3cc(-c4cccc(O)c4)nn3)cn2)c1
InChIInChI=1S/C19H17N5O2/c1-26-18-7-3-5-16(9-18)24-12-14(10-20-24)11-23-13-19(21-22-23)15-4-2-6-17(25)8-15/h2-10,12-13,25H,11H2,1H3
InChIKeyAFCJFXRVXFXVNX-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.89
Rot. Bonds5

About 3-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]phenol

3-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]phenol (PubChem CID 56714375) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]phenol.

Molecular Properties

Compound Name3-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]phenol
PubChem CID56714375
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name3-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]phenol
SMILESCOc1cccc(-n2cc(Cn3cc(-c4cccc(O)c4)nn3)cn2)c1
InChIInChI=1S/C19H17N5O2/c1-26-18-7-3-5-16(9-18)24-12-14(10-20-24)11-23-13-19(21-22-23)15-4-2-6-17(25)8-15/h2-10,12-13,25H,11H2,1H3
InChIKeyAFCJFXRVXFXVNX-UHFFFAOYSA-N
XLogP2.89
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]phenol?
The IUPAC name of 3-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]phenol (CID 56714375) is 3-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]phenol.
What is the SMILES notation for 3-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]phenol?
The canonical SMILES for 3-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]phenol is COc1cccc(-n2cc(Cn3cc(-c4cccc(O)c4)nn3)cn2)c1.
What is the InChIKey of 3-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]phenol?
The InChIKey is AFCJFXRVXFXVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-26-18-7-3-5-16(9-18)24-12-14(10-20-24)11-23-13-19(21-22-23)15-4-2-6-17(25)8-15/h2-10,12-13,25H,11H2,1H3.
What are the key properties of 3-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]phenol?
3-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]phenol has a molecular weight of 347.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]phenol is sourced from PubChem (CID 56714375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).