3-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine

C17H22F2N4 — CID 82588051

IUPAC3-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCn1nc(-c2ccc(F)c(F)c2)c2c1CCNC2
InChIInChI=1S/C17H22F2N4/c1-22(2)8-3-9-23-16-6-7-20-11-13(16)17(21-23)12-4-5-14(18)15(19)10-12/h4-5,10,20H,3,6-9,11H2,1-2H3
InChIKeyYGABCGPLWQYUTD-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.43
Rot. Bonds5

About 3-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine

3-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 82588051) has the molecular formula C17H22F2N4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID82588051
Molecular FormulaC17H22F2N4
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name3-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCn1nc(-c2ccc(F)c(F)c2)c2c1CCNC2
InChIInChI=1S/C17H22F2N4/c1-22(2)8-3-9-23-16-6-7-20-11-13(16)17(21-23)12-4-5-14(18)15(19)10-12/h4-5,10,20H,3,6-9,11H2,1-2H3
InChIKeyYGABCGPLWQYUTD-UHFFFAOYSA-N
XLogP2.43
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[3-(3-nitrophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propan-1-amine
CID 82588229
N,N-dimethyl-3-(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propan-1-amine
CID 82587315
3-(3-fluorophenyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587747
2-[3-(3,5-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol
CID 82588522
3-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587820
3-[3-(3-methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propanenitrile
CID 82587904
2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetonitrile
CID 82588472
4-[3-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepin-1-yl]butanoic acid
CID 59752652
3-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[4,3-c]azepine
CID 59752572
3-[1-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzonitrile;hydrochloride
CID 131733416
1-[4-[2-[2-chloro-5-[1-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]phenyl]ethynyl]phenyl]-N-[(4-chlorophenyl)methyl]methanamine
CID 59780611
1-(2,6-difluorophenyl)-3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587765

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine (CID 82588051) is 3-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCn1nc(-c2ccc(F)c(F)c2)c2c1CCNC2.
What is the InChIKey of 3-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is YGABCGPLWQYUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4/c1-22(2)8-3-9-23-16-6-7-20-11-13(16)17(21-23)12-4-5-14(18)15(19)10-12/h4-5,10,20H,3,6-9,11H2,1-2H3.
What are the key properties of 3-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine?
3-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 320.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 82588051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).