1-[3-(2,5-dimethylfuran-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyrazol-1-ylethanone

C17H19N5O2 — CID 30957540

IUPAC1-[3-(2,5-dimethylfuran-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyrazol-1-ylethanone
SMILESCc1cc(-c2n[nH]c3c2CN(C(=O)Cn2cccn2)CC3)c(C)o1
InChIInChI=1S/C17H19N5O2/c1-11-8-13(12(2)24-11)17-14-9-21(7-4-15(14)19-20-17)16(23)10-22-6-3-5-18-22/h3,5-6,8H,4,7,9-10H2,1-2H3,(H,19,20)
InChIKeyDXPUUTOYOZWCAF-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.07
Rot. Bonds3

About 1-[3-(2,5-dimethylfuran-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyrazol-1-ylethanone

1-[3-(2,5-dimethylfuran-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyrazol-1-ylethanone (PubChem CID 30957540) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-[3-(2,5-dimethylfuran-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[3-(2,5-dimethylfuran-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyrazol-1-ylethanone
PubChem CID30957540
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-[3-(2,5-dimethylfuran-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyrazol-1-ylethanone
SMILESCc1cc(-c2n[nH]c3c2CN(C(=O)Cn2cccn2)CC3)c(C)o1
InChIInChI=1S/C17H19N5O2/c1-11-8-13(12(2)24-11)17-14-9-21(7-4-15(14)19-20-17)16(23)10-22-6-3-5-18-22/h3,5-6,8H,4,7,9-10H2,1-2H3,(H,19,20)
InChIKeyDXPUUTOYOZWCAF-UHFFFAOYSA-N
XLogP2.07
TPSA79.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dimethylfuran-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[3-(2,5-dimethylfuran-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyrazol-1-ylethanone (CID 30957540) is 1-[3-(2,5-dimethylfuran-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[3-(2,5-dimethylfuran-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[3-(2,5-dimethylfuran-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyrazol-1-ylethanone is Cc1cc(-c2n[nH]c3c2CN(C(=O)Cn2cccn2)CC3)c(C)o1.
What is the InChIKey of 1-[3-(2,5-dimethylfuran-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyrazol-1-ylethanone?
The InChIKey is DXPUUTOYOZWCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11-8-13(12(2)24-11)17-14-9-21(7-4-15(14)19-20-17)16(23)10-22-6-3-5-18-22/h3,5-6,8H,4,7,9-10H2,1-2H3,(H,19,20).
What are the key properties of 1-[3-(2,5-dimethylfuran-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyrazol-1-ylethanone?
1-[3-(2,5-dimethylfuran-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyrazol-1-ylethanone has a molecular weight of 325.37 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dimethylfuran-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 30957540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).