[(3R)-3-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone

C10H11N3O — CID 10313453

IUPAC[(3R)-3-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
SMILESC[C@@H]1CC=NN1C(=O)c1cccnc1
InChIInChI=1S/C10H11N3O/c1-8-4-6-12-13(8)10(14)9-3-2-5-11-7-9/h2-3,5-8H,4H2,1H3/t8-/m1/s1
InChIKeyKKMMIKKVFRCZBO-MRVPVSSYSA-N
MW189.22 g/mol
LogP1.30
Rot. Bonds1

About [(3R)-3-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone

[(3R)-3-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone (PubChem CID 10313453) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is [(3R)-3-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
PubChem CID10313453
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name[(3R)-3-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
SMILESC[C@@H]1CC=NN1C(=O)c1cccnc1
InChIInChI=1S/C10H11N3O/c1-8-4-6-12-13(8)10(14)9-3-2-5-11-7-9/h2-3,5-8H,4H2,1H3/t8-/m1/s1
InChIKeyKKMMIKKVFRCZBO-MRVPVSSYSA-N
XLogP1.30
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone
CID 14749447
(2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone
CID 110727642
[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]-pyridin-3-ylmethanone
CID 136582250
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 55225730
3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999
3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one
CID 114499676
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 110290369
[2-(chloromethyl)-5-methylmorpholin-4-yl]-pyridin-3-ylmethanone
CID 81211730
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-pyridin-3-ylmethanone
CID 47120180
[(2S,6R)-4-(4-tert-butylphenyl)-2,6-dimethylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 129268299

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(3R)-3-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone (CID 10313453) is [(3R)-3-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(3R)-3-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(3R)-3-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone is C[C@@H]1CC=NN1C(=O)c1cccnc1.
What is the InChIKey of [(3R)-3-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
The InChIKey is KKMMIKKVFRCZBO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-8-4-6-12-13(8)10(14)9-3-2-5-11-7-9/h2-3,5-8H,4H2,1H3/t8-/m1/s1.
What are the key properties of [(3R)-3-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
[(3R)-3-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone has a molecular weight of 189.22 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 10313453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).