methyl 2-methyl-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)furan-3-carboxylate

C14H17N3O3 — CID 75441855

IUPACmethyl 2-methyl-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)furan-3-carboxylate
SMILESCOC(=O)c1cc(CN2CCc3[nH]ncc3C2)oc1C
InChIInChI=1S/C14H17N3O3/c1-9-12(14(18)19-2)5-11(20-9)8-17-4-3-13-10(7-17)6-15-16-13/h5-6H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyCXNKKLFZPZVNMM-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.66
Rot. Bonds3

About methyl 2-methyl-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)furan-3-carboxylate

methyl 2-methyl-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)furan-3-carboxylate (PubChem CID 75441855) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl 2-methyl-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)furan-3-carboxylate
PubChem CID75441855
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Namemethyl 2-methyl-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)furan-3-carboxylate
SMILESCOC(=O)c1cc(CN2CCc3[nH]ncc3C2)oc1C
InChIInChI=1S/C14H17N3O3/c1-9-12(14(18)19-2)5-11(20-9)8-17-4-3-13-10(7-17)6-15-16-13/h5-6H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyCXNKKLFZPZVNMM-UHFFFAOYSA-N
XLogP1.66
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)furan-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)furan-3-carboxylate (CID 75441855) is methyl 2-methyl-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)furan-3-carboxylate is COC(=O)c1cc(CN2CCc3[nH]ncc3C2)oc1C.
What is the InChIKey of methyl 2-methyl-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)furan-3-carboxylate?
The InChIKey is CXNKKLFZPZVNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-12(14(18)19-2)5-11(20-9)8-17-4-3-13-10(7-17)6-15-16-13/h5-6H,3-4,7-8H2,1-2H3,(H,15,16).
What are the key properties of methyl 2-methyl-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)furan-3-carboxylate?
methyl 2-methyl-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)furan-3-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)furan-3-carboxylate is sourced from PubChem (CID 75441855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).