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

C16H19N3O3 — CID 71837217

IUPAC[1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCc2c(c(CO)nn2CC2CC2)C1
InChIInChI=1S/C16H19N3O3/c20-9-14-13-8-18(16(21)12-4-6-22-10-12)5-3-15(13)19(17-14)7-11-1-2-11/h4,6,10-11,20H,1-3,5,7-9H2
InChIKeyBXAFOHIQYJGEJR-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.58
Rot. Bonds4

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

[1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(furan-3-yl)methanone (PubChem CID 71837217) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(furan-3-yl)methanone
PubChem CID71837217
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name[1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCc2c(c(CO)nn2CC2CC2)C1
InChIInChI=1S/C16H19N3O3/c20-9-14-13-8-18(16(21)12-4-6-22-10-12)5-3-15(13)19(17-14)7-11-1-2-11/h4,6,10-11,20H,1-3,5,7-9H2
InChIKeyBXAFOHIQYJGEJR-UHFFFAOYSA-N
XLogP1.58
TPSA71.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 71837250
[1-(cyclopropylmethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone
CID 134070362
furan-3-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200631
5-(4-chloro-2-hydroxybenzoyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56709419
1,3-benzothiazol-6-yl-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 118784990
1,3-benzodioxol-5-yl-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 71837230
furan-3-yl-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
CID 97405332
1-[1-(cyclopropylmethyl)-3-[4-[3-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373011
furan-3-yl-[(4S)-4-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone
CID 164629238
[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 72911179
[3-(bromomethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 80666702
1-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
CID 118742258

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(furan-3-yl)methanone?
The IUPAC name of [1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(furan-3-yl)methanone (CID 71837217) is [1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(furan-3-yl)methanone?
The canonical SMILES for [1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCc2c(c(CO)nn2CC2CC2)C1.
What is the InChIKey of [1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(furan-3-yl)methanone?
The InChIKey is BXAFOHIQYJGEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-9-14-13-8-18(16(21)12-4-6-22-10-12)5-3-15(13)19(17-14)7-11-1-2-11/h4,6,10-11,20H,1-3,5,7-9H2.
What are the key properties of [1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(furan-3-yl)methanone?
[1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(furan-3-yl)methanone has a molecular weight of 301.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 71837217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).