(3-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone

C19H20N4O2 — CID 47000148

IUPAC(3-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCc2[nH]nc(Cc3ccccc3)c2C1
InChIInChI=1S/C19H20N4O2/c1-12-18(13(2)25-22-12)19(24)23-9-8-16-15(11-23)17(21-20-16)10-14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,20,21)
InChIKeyFYXCQCHFKURULM-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.80
Rot. Bonds3

About (3-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone

(3-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (PubChem CID 47000148) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is (3-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(3-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
PubChem CID47000148
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name(3-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCc2[nH]nc(Cc3ccccc3)c2C1
InChIInChI=1S/C19H20N4O2/c1-12-18(13(2)25-22-12)19(24)23-9-8-16-15(11-23)17(21-20-16)10-14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,20,21)
InChIKeyFYXCQCHFKURULM-UHFFFAOYSA-N
XLogP2.80
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 46994041
(3-benzyl-4-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)-phenylmethanone
CID 70510356
(E)-1-(3-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-pyridin-2-ylprop-2-en-1-one
CID 31193787
6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide;formic acid
CID 171322096
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 90653351
(2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46982336
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone
CID 90608578
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46999531
(5-methyl-2-phenyl-1H-imidazol-4-yl)-(3-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 29170162
[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone
CID 46994987
(2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46987105
3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]propanoic acid
CID 43522115

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of (3-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (CID 47000148) is (3-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for (3-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for (3-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is Cc1noc(C)c1C(=O)N1CCc2[nH]nc(Cc3ccccc3)c2C1.
What is the InChIKey of (3-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The InChIKey is FYXCQCHFKURULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-18(13(2)25-22-12)19(24)23-9-8-16-15(11-23)17(21-20-16)10-14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,20,21).
What are the key properties of (3-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
(3-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone has a molecular weight of 336.39 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 47000148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).