1,3-dimethylspiro[4H-furo[3,4-d]pyrazole-6,4'-piperidine]

C11H17N3O — CID 23549003

IUPAC1,3-dimethylspiro[4H-furo[3,4-d]pyrazole-6,4'-piperidine]
SMILESCc1nn(C)c2c1COC21CCNCC1
InChIInChI=1S/C11H17N3O/c1-8-9-7-15-11(3-5-12-6-4-11)10(9)14(2)13-8/h12H,3-7H2,1-2H3
InChIKeyOENBLOWXTFSKCI-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.84
Rot. Bonds

About 1,3-dimethylspiro[4H-furo[3,4-d]pyrazole-6,4'-piperidine]

1,3-dimethylspiro[4H-furo[3,4-d]pyrazole-6,4'-piperidine] (PubChem CID 23549003) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1,3-dimethylspiro[4H-furo[3,4-d]pyrazole-6,4'-piperidine].

Molecular Properties

Compound Name1,3-dimethylspiro[4H-furo[3,4-d]pyrazole-6,4'-piperidine]
PubChem CID23549003
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1,3-dimethylspiro[4H-furo[3,4-d]pyrazole-6,4'-piperidine]
SMILESCc1nn(C)c2c1COC21CCNCC1
InChIInChI=1S/C11H17N3O/c1-8-9-7-15-11(3-5-12-6-4-11)10(9)14(2)13-8/h12H,3-7H2,1-2H3
InChIKeyOENBLOWXTFSKCI-UHFFFAOYSA-N
XLogP0.84
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

rac-((2R,3S)-2-(trimethyl-1H-pyrazol-4-yl)oxolan-3-yl)methanamine
CID 95970483
2,2-dimethyl-N-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]butan-1-amine
CID 72124389
3-(1,1-Difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole
CID 90162129
1H-Pyrazolo[3,4-C]pyridine, 1-cyclopentyl-7-ethoxy-3-ethyl-4,5-dihydro-
CID 9845751
4-(1-Ethyl-3-methoxymethyl-4-methyl-(1H)-pyrazol-5-yl)piperidine
CID 21912775
1,3-diethylspiro[4H-furo[3,4-c]pyrazole-6,4'-piperidine]
CID 21983935
1,3-diethylspiro[4H-furo[3,4-c]pyrazole-6,4'-piperidine];dihydrochloride
CID 21983943
tert-butyl 1,3-diethylspiro[4H-furo[3,4-c]pyrazole-6,4'-piperidine]-1'-carboxylate
CID 21983970
tert-butyl 2,3-diethylspiro[4H-furo[3,4-c]pyrazole-6,4'-piperidine]-1'-carboxylate
CID 21984000
2,3-diethylspiro[4H-furo[3,4-c]pyrazole-6,4'-piperidine]
CID 21984001
(1,3-dimethylspiro[4H-furo[3,4-d]pyrazole-6,4'-piperidine]-1'-yl)-methylborinic acid
CID 23548973
(2,3-dimethylspiro[4H-furo[3,4-c]pyrazole-6,4'-piperidine]-1'-yl)-methylborinic acid
CID 23548987

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylspiro[4H-furo[3,4-d]pyrazole-6,4'-piperidine]?
The IUPAC name of 1,3-dimethylspiro[4H-furo[3,4-d]pyrazole-6,4'-piperidine] (CID 23549003) is 1,3-dimethylspiro[4H-furo[3,4-d]pyrazole-6,4'-piperidine].
What is the SMILES notation for 1,3-dimethylspiro[4H-furo[3,4-d]pyrazole-6,4'-piperidine]?
The canonical SMILES for 1,3-dimethylspiro[4H-furo[3,4-d]pyrazole-6,4'-piperidine] is Cc1nn(C)c2c1COC21CCNCC1.
What is the InChIKey of 1,3-dimethylspiro[4H-furo[3,4-d]pyrazole-6,4'-piperidine]?
The InChIKey is OENBLOWXTFSKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-9-7-15-11(3-5-12-6-4-11)10(9)14(2)13-8/h12H,3-7H2,1-2H3.
What are the key properties of 1,3-dimethylspiro[4H-furo[3,4-d]pyrazole-6,4'-piperidine]?
1,3-dimethylspiro[4H-furo[3,4-d]pyrazole-6,4'-piperidine] has a molecular weight of 207.28 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylspiro[4H-furo[3,4-d]pyrazole-6,4'-piperidine] is sourced from PubChem (CID 23549003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).