3-methyl-1-(1-propan-2-ylazetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine

C13H22N4 — CID 105495278

IUPAC3-methyl-1-(1-propan-2-ylazetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESCc1nn(C2CN(C(C)C)C2)c2c1CCNC2
InChIInChI=1S/C13H22N4/c1-9(2)16-7-11(8-16)17-13-6-14-5-4-12(13)10(3)15-17/h9,11,14H,4-8H2,1-3H3
InChIKeyGQGIPJDWZLQAFE-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.10
Rot. Bonds2

About 3-methyl-1-(1-propan-2-ylazetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine

3-methyl-1-(1-propan-2-ylazetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine (PubChem CID 105495278) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 3-methyl-1-(1-propan-2-ylazetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name3-methyl-1-(1-propan-2-ylazetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
PubChem CID105495278
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name3-methyl-1-(1-propan-2-ylazetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESCc1nn(C2CN(C(C)C)C2)c2c1CCNC2
InChIInChI=1S/C13H22N4/c1-9(2)16-7-11(8-16)17-13-6-14-5-4-12(13)10(3)15-17/h9,11,14H,4-8H2,1-3H3
InChIKeyGQGIPJDWZLQAFE-UHFFFAOYSA-N
XLogP1.10
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 75465061
3-chloro-1-cyclobutyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 105465676
1-cyclobutyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine
CID 105446509
1-cyclopropyl-3-methyl-4,5,6,7-tetrahydroindazole
CID 137437585
3-chloro-1-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 105485038
3-methyl-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 130214355
1-piperidin-3-yl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine
CID 105478139
1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonitrile
CID 105444451
1-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856079
3-(3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl)aniline
CID 105485912
3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrazole-4-carbaldehyde
CID 105496749
1-[(5-chlorothiophen-2-yl)methyl]-3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride
CID 162131122

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-propan-2-ylazetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine?
The IUPAC name of 3-methyl-1-(1-propan-2-ylazetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine (CID 105495278) is 3-methyl-1-(1-propan-2-ylazetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine.
What is the SMILES notation for 3-methyl-1-(1-propan-2-ylazetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine?
The canonical SMILES for 3-methyl-1-(1-propan-2-ylazetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine is Cc1nn(C2CN(C(C)C)C2)c2c1CCNC2.
What is the InChIKey of 3-methyl-1-(1-propan-2-ylazetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine?
The InChIKey is GQGIPJDWZLQAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9(2)16-7-11(8-16)17-13-6-14-5-4-12(13)10(3)15-17/h9,11,14H,4-8H2,1-3H3.
What are the key properties of 3-methyl-1-(1-propan-2-ylazetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine?
3-methyl-1-(1-propan-2-ylazetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine has a molecular weight of 234.35 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-propan-2-ylazetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine is sourced from PubChem (CID 105495278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).