1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine

C19H16ClF3N4 — CID 172814301

IUPAC1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESFC(F)(F)c1cc(Cl)cc(Cc2cc(-n3ncc4c3CCNC4)ccn2)c1
InChIInChI=1S/C19H16ClF3N4/c20-15-6-12(5-14(8-15)19(21,22)23)7-16-9-17(1-4-25-16)27-18-2-3-24-10-13(18)11-26-27/h1,4-6,8-9,11,24H,2-3,7,10H2
InChIKeySPKWPSUGFBUIHD-UHFFFAOYSA-N
MW392.81 g/mol
LogP4.18
Rot. Bonds3

About 1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine

1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 172814301) has the molecular formula C19H16ClF3N4 and a molecular weight of 392.81 g/mol. Its IUPAC name is 1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID172814301
Molecular FormulaC19H16ClF3N4
Molecular Weight392.81 g/mol
Exact Mass392.10
IUPAC Name1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESFC(F)(F)c1cc(Cl)cc(Cc2cc(-n3ncc4c3CCNC4)ccn2)c1
InChIInChI=1S/C19H16ClF3N4/c20-15-6-12(5-14(8-15)19(21,22)23)7-16-9-17(1-4-25-16)27-18-2-3-24-10-13(18)11-26-27/h1,4-6,8-9,11,24H,2-3,7,10H2
InChIKeySPKWPSUGFBUIHD-UHFFFAOYSA-N
XLogP4.18
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.81
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine with MolForge

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Related Compounds

1-[2-[[3-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one
CID 156735263
1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carbonitrile
CID 156735505
1-[2-[(3-chloro-4-fluorophenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one
CID 156735422
1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride
CID 162423020
1-[2-[(3-fluoro-5-methylphenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one
CID 156735334
1-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 82586425
1-[2-[[3-fluoro-5-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one
CID 156735588
1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-4-yl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one
CID 156735400
1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 172828570
3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)aniline
CID 105467862
3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzoic acid
CID 82586390
1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]pyrazole-4-carboxamide
CID 156852738

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 172814301) is 1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine is FC(F)(F)c1cc(Cl)cc(Cc2cc(-n3ncc4c3CCNC4)ccn2)c1.
What is the InChIKey of 1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is SPKWPSUGFBUIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N4/c20-15-6-12(5-14(8-15)19(21,22)23)7-16-9-17(1-4-25-16)27-18-2-3-24-10-13(18)11-26-27/h1,4-6,8-9,11,24H,2-3,7,10H2.
What are the key properties of 1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 392.81 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 172814301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).