3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine

C19H17ClN4O — CID 59593358

IUPAC3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOC(c1c(C)nn(-c2ccccc2)c1Cl)c1c[nH]c2ncccc12
InChIInChI=1S/C19H17ClN4O/c1-12-16(18(20)24(23-12)13-7-4-3-5-8-13)17(25-2)15-11-22-19-14(15)9-6-10-21-19/h3-11,17H,1-2H3,(H,21,22)
InChIKeyDELYZOYJZTWTIW-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.45
Rot. Bonds4

About 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine

3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59593358) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID59593358
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOC(c1c(C)nn(-c2ccccc2)c1Cl)c1c[nH]c2ncccc12
InChIInChI=1S/C19H17ClN4O/c1-12-16(18(20)24(23-12)13-7-4-3-5-8-13)17(25-2)15-11-22-19-14(15)9-6-10-21-19/h3-11,17H,1-2H3,(H,21,22)
InChIKeyDELYZOYJZTWTIW-UHFFFAOYSA-N
XLogP4.45
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine (CID 59593358) is 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine is COC(c1c(C)nn(-c2ccccc2)c1Cl)c1c[nH]c2ncccc12.
What is the InChIKey of 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is DELYZOYJZTWTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-12-16(18(20)24(23-12)13-7-4-3-5-8-13)17(25-2)15-11-22-19-14(15)9-6-10-21-19/h3-11,17H,1-2H3,(H,21,22).
What are the key properties of 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine?
3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 352.83 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59593358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).