[2-(4-chloro-2-fluorophenyl)cyclobutyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

C17H17ClFN3O — CID 146092021

IUPAC[2-(4-chloro-2-fluorophenyl)cyclobutyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(C1CCC1c1ccc(Cl)cc1F)N1CCc2[nH]ncc2C1
InChIInChI=1S/C17H17ClFN3O/c18-11-1-2-13(15(19)7-11)12-3-4-14(12)17(23)22-6-5-16-10(9-22)8-20-21-16/h1-2,7-8,12,14H,3-6,9H2,(H,20,21)
InChIKeyZFVIYZRYPUNMOK-UHFFFAOYSA-N
MW333.79 g/mol
LogP3.28
Rot. Bonds2

About [2-(4-chloro-2-fluorophenyl)cyclobutyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

[2-(4-chloro-2-fluorophenyl)cyclobutyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 146092021) has the molecular formula C17H17ClFN3O and a molecular weight of 333.79 g/mol. Its IUPAC name is [2-(4-chloro-2-fluorophenyl)cyclobutyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[2-(4-chloro-2-fluorophenyl)cyclobutyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID146092021
Molecular FormulaC17H17ClFN3O
Molecular Weight333.79 g/mol
Exact Mass333.10
IUPAC Name[2-(4-chloro-2-fluorophenyl)cyclobutyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(C1CCC1c1ccc(Cl)cc1F)N1CCc2[nH]ncc2C1
InChIInChI=1S/C17H17ClFN3O/c18-11-1-2-13(15(19)7-11)12-3-4-14(12)17(23)22-6-5-16-10(9-22)8-20-21-16/h1-2,7-8,12,14H,3-6,9H2,(H,20,21)
InChIKeyZFVIYZRYPUNMOK-UHFFFAOYSA-N
XLogP3.28
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(4-chloro-2-fluorophenyl)cyclobutyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone with MolForge

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Related Compounds

[4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-bicyclo[2.2.2]octanyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 166234515
[1-(2,4-dichlorophenyl)pyrazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859603
(5-chloro-2-propoxyphenyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 71977744
[1-[(4-methoxyphenyl)methyl]azetidin-2-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 146108730
(3-bromo-2-chlorophenyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 75518637
trifluoromethyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate
CID 153306399
(5,7-difluoroquinolin-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 167785735
(7-fluoro-3-methyl-1-benzofuran-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 42290505
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 99936128
1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 86859832
1-(4-fluorophenyl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one
CID 75377385
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
CID 100574207

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-fluorophenyl)cyclobutyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [2-(4-chloro-2-fluorophenyl)cyclobutyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (CID 146092021) is [2-(4-chloro-2-fluorophenyl)cyclobutyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [2-(4-chloro-2-fluorophenyl)cyclobutyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [2-(4-chloro-2-fluorophenyl)cyclobutyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is O=C(C1CCC1c1ccc(Cl)cc1F)N1CCc2[nH]ncc2C1.
What is the InChIKey of [2-(4-chloro-2-fluorophenyl)cyclobutyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is ZFVIYZRYPUNMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O/c18-11-1-2-13(15(19)7-11)12-3-4-14(12)17(23)22-6-5-16-10(9-22)8-20-21-16/h1-2,7-8,12,14H,3-6,9H2,(H,20,21).
What are the key properties of [2-(4-chloro-2-fluorophenyl)cyclobutyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
[2-(4-chloro-2-fluorophenyl)cyclobutyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 333.79 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-fluorophenyl)cyclobutyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 146092021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).