1-ethyl-3-piperidin-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole

C13H21N3O — CID 121214685

IUPAC1-ethyl-3-piperidin-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
SMILESCCn1nc(C2CCCNC2)c2c1CCOC2
InChIInChI=1S/C13H21N3O/c1-2-16-12-5-7-17-9-11(12)13(15-16)10-4-3-6-14-8-10/h10,14H,2-9H2,1H3
InChIKeyWMKJOMNELPDCNS-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.44
Rot. Bonds2

About 1-ethyl-3-piperidin-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole

1-ethyl-3-piperidin-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole (PubChem CID 121214685) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-ethyl-3-piperidin-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name1-ethyl-3-piperidin-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
PubChem CID121214685
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-ethyl-3-piperidin-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
SMILESCCn1nc(C2CCCNC2)c2c1CCOC2
InChIInChI=1S/C13H21N3O/c1-2-16-12-5-7-17-9-11(12)13(15-16)10-4-3-6-14-8-10/h10,14H,2-9H2,1H3
InChIKeyWMKJOMNELPDCNS-UHFFFAOYSA-N
XLogP1.44
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[(3R)-piperidin-3-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 129407936
1-[(1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]piperidin-4-amine
CID 176515403
(3S)-3-(2-ethyl-1,2,4-triazol-3-yl)piperidine
CID 94552936
1-pentyl-3-piperidin-3-ylindazole
CID 67818379
3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
CID 50988337
3-cyclopentyl-1-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 4263649
3-[4-bromo-1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperidine
CID 84608514
3-(5-ethyl-2H-triazol-4-yl)piperidine
CID 84768245
1-ethyl-3-pyrazin-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
CID 121214663
3-(2-ethyltriazol-4-yl)piperidine
CID 10012528
3-(3,5-dimethyl-1-propylpyrazol-4-yl)piperidine
CID 105478412
3-bromo-1-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 105487454

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-piperidin-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The IUPAC name of 1-ethyl-3-piperidin-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole (CID 121214685) is 1-ethyl-3-piperidin-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole.
What is the SMILES notation for 1-ethyl-3-piperidin-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The canonical SMILES for 1-ethyl-3-piperidin-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole is CCn1nc(C2CCCNC2)c2c1CCOC2.
What is the InChIKey of 1-ethyl-3-piperidin-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The InChIKey is WMKJOMNELPDCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-16-12-5-7-17-9-11(12)13(15-16)10-4-3-6-14-8-10/h10,14H,2-9H2,1H3.
What are the key properties of 1-ethyl-3-piperidin-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
1-ethyl-3-piperidin-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole has a molecular weight of 235.33 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-piperidin-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole is sourced from PubChem (CID 121214685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).