3-chloro-1-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine

C10H14ClN3O — CID 105485038

IUPAC3-chloro-1-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESClc1nn(C2CCOC2)c2c1CCNC2
InChIInChI=1S/C10H14ClN3O/c11-10-8-1-3-12-5-9(8)14(13-10)7-2-4-15-6-7/h7,12H,1-6H2
InChIKeyKGHBLLSQAWBSSS-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.14
Rot. Bonds1

About 3-chloro-1-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine

3-chloro-1-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine (PubChem CID 105485038) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-chloro-1-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name3-chloro-1-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
PubChem CID105485038
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name3-chloro-1-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESClc1nn(C2CCOC2)c2c1CCNC2
InChIInChI=1S/C10H14ClN3O/c11-10-8-1-3-12-5-9(8)14(13-10)7-2-4-15-6-7/h7,12H,1-6H2
InChIKeyKGHBLLSQAWBSSS-UHFFFAOYSA-N
XLogP1.14
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-1-cyclobutyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 105465676
[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanamine
CID 105498001
1-cyclobutyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine
CID 105446509
2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 105479436
1-(oxan-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 105460739
1-piperidin-3-yl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine
CID 105478139
3-methyl-1-(1-propan-2-ylazetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 105495278
2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde
CID 105496416
4-chloro-2-(oxolan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 115043381
1-[3-methyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone
CID 145091366
2-[3-bromo-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetaldehyde
CID 121365407
3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-amine
CID 63558947

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine?
The IUPAC name of 3-chloro-1-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine (CID 105485038) is 3-chloro-1-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine.
What is the SMILES notation for 3-chloro-1-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine?
The canonical SMILES for 3-chloro-1-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine is Clc1nn(C2CCOC2)c2c1CCNC2.
What is the InChIKey of 3-chloro-1-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine?
The InChIKey is KGHBLLSQAWBSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c11-10-8-1-3-12-5-9(8)14(13-10)7-2-4-15-6-7/h7,12H,1-6H2.
What are the key properties of 3-chloro-1-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine?
3-chloro-1-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine has a molecular weight of 227.69 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine is sourced from PubChem (CID 105485038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).