3,4-dimethyl-2-(pyridin-3-ylmethyl)pyrano[2,3-c]pyrazol-6-one

C14H13N3O2 — CID 10264335

IUPAC3,4-dimethyl-2-(pyridin-3-ylmethyl)pyrano[2,3-c]pyrazol-6-one
SMILESCc1cc(=O)oc2nn(Cc3cccnc3)c(C)c12
InChIInChI=1S/C14H13N3O2/c1-9-6-12(18)19-14-13(9)10(2)17(16-14)8-11-4-3-5-15-7-11/h3-7H,8H2,1-2H3
InChIKeyVHKZXCOTVXAISI-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.05
Rot. Bonds2

About 3,4-dimethyl-2-(pyridin-3-ylmethyl)pyrano[2,3-c]pyrazol-6-one

3,4-dimethyl-2-(pyridin-3-ylmethyl)pyrano[2,3-c]pyrazol-6-one (PubChem CID 10264335) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3,4-dimethyl-2-(pyridin-3-ylmethyl)pyrano[2,3-c]pyrazol-6-one.

Molecular Properties

Compound Name3,4-dimethyl-2-(pyridin-3-ylmethyl)pyrano[2,3-c]pyrazol-6-one
PubChem CID10264335
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name3,4-dimethyl-2-(pyridin-3-ylmethyl)pyrano[2,3-c]pyrazol-6-one
SMILESCc1cc(=O)oc2nn(Cc3cccnc3)c(C)c12
InChIInChI=1S/C14H13N3O2/c1-9-6-12(18)19-14-13(9)10(2)17(16-14)8-11-4-3-5-15-7-11/h3-7H,8H2,1-2H3
InChIKeyVHKZXCOTVXAISI-UHFFFAOYSA-N
XLogP2.05
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-(pyridin-3-ylmethyl)pyrazol-3-amine
CID 3161320
5-methyl-1-(pyridin-3-ylmethyl)pyrazol-4-amine
CID 118365737
2-(pyridin-3-ylmethyl)pyridazin-3-one
CID 126857261
N-[[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 43648091
6-amino-2-(pyridin-3-ylmethyl)pyridazin-3-one
CID 116788200
1-methyl-3-(pyridin-3-ylmethyl)pyrrolo[1,2-d][1,2,4]triazin-4-one
CID 16668872
3,4-dimethyl-1-[(3-nitrophenyl)methyl]pyrano[3,2-d]pyrazol-6-one
CID 10424814
2-(pyridin-3-ylmethyl)pyrazol-3-amine
CID 1096899
(3S,6S)-3,6-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 155810252
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)pyridine-3-carboxamide
CID 35524107
tert-butyl 5-methyl-1-(pyridin-3-ylmethyl)triazole-4-carboxylate
CID 103112569
5,7-dimethyl-1-phenyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 17250755

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-(pyridin-3-ylmethyl)pyrano[2,3-c]pyrazol-6-one?
The IUPAC name of 3,4-dimethyl-2-(pyridin-3-ylmethyl)pyrano[2,3-c]pyrazol-6-one (CID 10264335) is 3,4-dimethyl-2-(pyridin-3-ylmethyl)pyrano[2,3-c]pyrazol-6-one.
What is the SMILES notation for 3,4-dimethyl-2-(pyridin-3-ylmethyl)pyrano[2,3-c]pyrazol-6-one?
The canonical SMILES for 3,4-dimethyl-2-(pyridin-3-ylmethyl)pyrano[2,3-c]pyrazol-6-one is Cc1cc(=O)oc2nn(Cc3cccnc3)c(C)c12.
What is the InChIKey of 3,4-dimethyl-2-(pyridin-3-ylmethyl)pyrano[2,3-c]pyrazol-6-one?
The InChIKey is VHKZXCOTVXAISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-9-6-12(18)19-14-13(9)10(2)17(16-14)8-11-4-3-5-15-7-11/h3-7H,8H2,1-2H3.
What are the key properties of 3,4-dimethyl-2-(pyridin-3-ylmethyl)pyrano[2,3-c]pyrazol-6-one?
3,4-dimethyl-2-(pyridin-3-ylmethyl)pyrano[2,3-c]pyrazol-6-one has a molecular weight of 255.28 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-(pyridin-3-ylmethyl)pyrano[2,3-c]pyrazol-6-one is sourced from PubChem (CID 10264335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).