(2-chloro-3-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone

C19H15ClFN3O — CID 172826981

IUPAC(2-chloro-3-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone
SMILESO=C(c1cccc(F)c1Cl)N1CCc2c(-c3ccccc3)n[nH]c2C1
InChIInChI=1S/C19H15ClFN3O/c20-17-14(7-4-8-15(17)21)19(25)24-10-9-13-16(11-24)22-23-18(13)12-5-2-1-3-6-12/h1-8H,9-11H2,(H,22,23)
InChIKeyUZTSEKJYRXKPJJ-UHFFFAOYSA-N
MW355.80 g/mol
LogP4.07
Rot. Bonds2

About (2-chloro-3-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone

(2-chloro-3-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone (PubChem CID 172826981) has the molecular formula C19H15ClFN3O and a molecular weight of 355.80 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone
PubChem CID172826981
Molecular FormulaC19H15ClFN3O
Molecular Weight355.80 g/mol
Exact Mass355.09
IUPAC Name(2-chloro-3-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone
SMILESO=C(c1cccc(F)c1Cl)N1CCc2c(-c3ccccc3)n[nH]c2C1
InChIInChI=1S/C19H15ClFN3O/c20-17-14(7-4-8-15(17)21)19(25)24-10-9-13-16(11-24)22-23-18(13)12-5-2-1-3-6-12/h1-8H,9-11H2,(H,22,23)
InChIKeyUZTSEKJYRXKPJJ-UHFFFAOYSA-N
XLogP4.07
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 108750151
(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 154569622
[2-chloro-3-(trifluoromethyl)phenyl]-[3-[(4-fluorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone
CID 172846597
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone
CID 108750131
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-fluorophenyl)methanone
CID 108726007
6-[1-(3-chloro-2-methylphenyl)ethenyl]-3-(4-methylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
CID 146953179
(3,5-difluoro-2-pyridinyl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone
CID 146044540
(5-fluoro-2-methoxyphenyl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone
CID 146042269
(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 146045833
(2-methylimidazo[1,2-a]pyridin-8-yl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone
CID 154569881
furan-3-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 53185455
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-phenoxyphenyl)methanone
CID 108725948

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone?
The IUPAC name of (2-chloro-3-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone (CID 172826981) is (2-chloro-3-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone.
What is the SMILES notation for (2-chloro-3-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone?
The canonical SMILES for (2-chloro-3-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone is O=C(c1cccc(F)c1Cl)N1CCc2c(-c3ccccc3)n[nH]c2C1.
What is the InChIKey of (2-chloro-3-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone?
The InChIKey is UZTSEKJYRXKPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O/c20-17-14(7-4-8-15(17)21)19(25)24-10-9-13-16(11-24)22-23-18(13)12-5-2-1-3-6-12/h1-8H,9-11H2,(H,22,23).
What are the key properties of (2-chloro-3-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone?
(2-chloro-3-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone has a molecular weight of 355.80 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-fluorophenyl)-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone is sourced from PubChem (CID 172826981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).