6-(phenylmethoxymethyl)-2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

C19H19N3O — CID 141058347

IUPAC6-(phenylmethoxymethyl)-2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESc1ccc(COCC2CCc3cc(-c4ccccn4)nn32)cc1
InChIInChI=1S/C19H19N3O/c1-2-6-15(7-3-1)13-23-14-17-10-9-16-12-19(21-22(16)17)18-8-4-5-11-20-18/h1-8,11-12,17H,9-10,13-14H2
InChIKeyKSJHMWOCDDEQFD-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.65
Rot. Bonds5

About 6-(phenylmethoxymethyl)-2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

6-(phenylmethoxymethyl)-2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (PubChem CID 141058347) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 6-(phenylmethoxymethyl)-2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.

Molecular Properties

Compound Name6-(phenylmethoxymethyl)-2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
PubChem CID141058347
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name6-(phenylmethoxymethyl)-2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESc1ccc(COCC2CCc3cc(-c4ccccn4)nn32)cc1
InChIInChI=1S/C19H19N3O/c1-2-6-15(7-3-1)13-23-14-17-10-9-16-12-19(21-22(16)17)18-8-4-5-11-20-18/h1-8,11-12,17H,9-10,13-14H2
InChIKeyKSJHMWOCDDEQFD-UHFFFAOYSA-N
XLogP3.65
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine
CID 10501247
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
5-benzyl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 122663123
2-(4-phenylmethoxybutoxy)pyridine
CID 23045271
(2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine
CID 54001693
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane
CID 166976209
(2S)-2-(phenylmethoxymethyl)-1-prop-2-enylpyrrolidine
CID 11817116
benzyl 3-pyridin-2-ylazetidine-1-carboxylate
CID 146649299
[(2S)-2,5-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene
CID 134971332
(2R)-2-(phenylmethoxymethyl)-1-tritylaziridine
CID 71714058

Frequently Asked Questions

What is the IUPAC name of 6-(phenylmethoxymethyl)-2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The IUPAC name of 6-(phenylmethoxymethyl)-2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (CID 141058347) is 6-(phenylmethoxymethyl)-2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.
What is the SMILES notation for 6-(phenylmethoxymethyl)-2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The canonical SMILES for 6-(phenylmethoxymethyl)-2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is c1ccc(COCC2CCc3cc(-c4ccccn4)nn32)cc1.
What is the InChIKey of 6-(phenylmethoxymethyl)-2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The InChIKey is KSJHMWOCDDEQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-2-6-15(7-3-1)13-23-14-17-10-9-16-12-19(21-22(16)17)18-8-4-5-11-20-18/h1-8,11-12,17H,9-10,13-14H2.
What are the key properties of 6-(phenylmethoxymethyl)-2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
6-(phenylmethoxymethyl)-2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole has a molecular weight of 305.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(phenylmethoxymethyl)-2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is sourced from PubChem (CID 141058347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).