1-[1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone

C19H23N3O3 — CID 71837214

IUPAC1-[1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCc2c(c(CO)nn2CC2CC2)C1
InChIInChI=1S/C19H23N3O3/c23-12-17-16-11-21(19(24)13-25-15-4-2-1-3-5-15)9-8-18(16)22(20-17)10-14-6-7-14/h1-5,14,23H,6-13H2
InChIKeyFMVPCHJOBHUCFR-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.75
Rot. Bonds6

About 1-[1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone

1-[1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone (PubChem CID 71837214) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone
PubChem CID71837214
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCc2c(c(CO)nn2CC2CC2)C1
InChIInChI=1S/C19H23N3O3/c23-12-17-16-11-21(19(24)13-25-15-4-2-1-3-5-15)9-8-18(16)22(20-17)10-14-6-7-14/h1-5,14,23H,6-13H2
InChIKeyFMVPCHJOBHUCFR-UHFFFAOYSA-N
XLogP1.75
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropylmethyl)-5-(2-phenoxyacetyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26230003
[1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(furan-3-yl)methanone
CID 71837217
N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-phenoxyacetamide
CID 146073461
1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone
CID 121435105
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-[5-(cyclopropylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-2-methoxyethanone
CID 42695040
[5-(2-phenoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl] hypoiodite
CID 145116781
1-(cyclopropylmethyl)-5-[2-(3-methoxyphenyl)acetyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26134155
1-(cyclopropylmethyl)-5-propan-2-yl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 171697336
1-[3-(hydroxymethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylethanone
CID 86771529
1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride
CID 119377679
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone?
The IUPAC name of 1-[1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone (CID 71837214) is 1-[1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCc2c(c(CO)nn2CC2CC2)C1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone?
The InChIKey is FMVPCHJOBHUCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-12-17-16-11-21(19(24)13-25-15-4-2-1-3-5-15)9-8-18(16)22(20-17)10-14-6-7-14/h1-5,14,23H,6-13H2.
What are the key properties of 1-[1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone?
1-[1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone has a molecular weight of 341.41 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone is sourced from PubChem (CID 71837214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).