N,N-dimethyl-5-(2-phenylethyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C20H25F3N4O — CID 26141397

IUPACN,N-dimethyl-5-(2-phenylethyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1nn(CCC(F)(F)F)c2c1CN(CCc1ccccc1)CC2
InChIInChI=1S/C20H25F3N4O/c1-25(2)19(28)18-16-14-26(11-8-15-6-4-3-5-7-15)12-9-17(16)27(24-18)13-10-20(21,22)23/h3-7H,8-14H2,1-2H3
InChIKeyKHZOUAKRQVYLSK-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.14
Rot. Bonds6

About N,N-dimethyl-5-(2-phenylethyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N,N-dimethyl-5-(2-phenylethyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26141397) has the molecular formula C20H25F3N4O and a molecular weight of 394.44 g/mol. Its IUPAC name is N,N-dimethyl-5-(2-phenylethyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-(2-phenylethyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26141397
Molecular FormulaC20H25F3N4O
Molecular Weight394.44 g/mol
Exact Mass394.20
IUPAC NameN,N-dimethyl-5-(2-phenylethyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1nn(CCC(F)(F)F)c2c1CN(CCc1ccccc1)CC2
InChIInChI=1S/C20H25F3N4O/c1-25(2)19(28)18-16-14-26(11-8-15-6-4-3-5-7-15)12-9-17(16)27(24-18)13-10-20(21,22)23/h3-7H,8-14H2,1-2H3
InChIKeyKHZOUAKRQVYLSK-UHFFFAOYSA-N
XLogP3.14
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-methoxyphenyl)methyl]-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26220286
1-benzyl-5-[(2,6-difluorophenyl)methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26137557
N,N-dimethyl-1-propyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 146641223
1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-[(2-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26147168
(4-hydroxypiperidin-1-yl)-[1-(2-phenylethyl)-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
CID 26215389
5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26142162
5-[(2-methylphenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26140977
1-[5-(3,3-dimethylbutanoyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-1,4-diazepan-5-one
CID 26227099
N-benzyl-5-[(3,5-dimethylphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26143204
N-benzyl-1-(2-hydroxyethyl)-5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26225988
morpholin-4-yl-[1-(2-phenylethyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
CID 26139970
N-benzyl-1-(2-hydroxyethyl)-5-(3-methylbut-2-enyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26140157

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(2-phenylethyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-5-(2-phenylethyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26141397) is N,N-dimethyl-5-(2-phenylethyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-(2-phenylethyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-5-(2-phenylethyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CN(C)C(=O)c1nn(CCC(F)(F)F)c2c1CN(CCc1ccccc1)CC2.
What is the InChIKey of N,N-dimethyl-5-(2-phenylethyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is KHZOUAKRQVYLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O/c1-25(2)19(28)18-16-14-26(11-8-15-6-4-3-5-7-15)12-9-17(16)27(24-18)13-10-20(21,22)23/h3-7H,8-14H2,1-2H3.
What are the key properties of N,N-dimethyl-5-(2-phenylethyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N,N-dimethyl-5-(2-phenylethyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(2-phenylethyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26141397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).