1-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3-methylpyrazol-1-yl)propan-1-one

C17H20N6O2 — CID 31193814

IUPAC1-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccn(CCC(=O)N2CCc3[nH]nc(-c4cc(C)on4)c3C2)n1
InChIInChI=1S/C17H20N6O2/c1-11-3-7-23(20-11)8-5-16(24)22-6-4-14-13(10-22)17(19-18-14)15-9-12(2)25-21-15/h3,7,9H,4-6,8,10H2,1-2H3,(H,18,19)
InChIKeyRZEKKYCPFLPOMD-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.85
Rot. Bonds4

About 1-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3-methylpyrazol-1-yl)propan-1-one

1-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3-methylpyrazol-1-yl)propan-1-one (PubChem CID 31193814) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
PubChem CID31193814
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name1-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccn(CCC(=O)N2CCc3[nH]nc(-c4cc(C)on4)c3C2)n1
InChIInChI=1S/C17H20N6O2/c1-11-3-7-23(20-11)8-5-16(24)22-6-4-14-13(10-22)17(19-18-14)15-9-12(2)25-21-15/h3,7,9H,4-6,8,10H2,1-2H3,(H,18,19)
InChIKeyRZEKKYCPFLPOMD-UHFFFAOYSA-N
XLogP1.85
TPSA92.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3-methylpyrazol-1-yl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3-methylpyrazol-1-yl)propan-1-one (CID 31193814) is 1-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3-methylpyrazol-1-yl)propan-1-one is Cc1ccn(CCC(=O)N2CCc3[nH]nc(-c4cc(C)on4)c3C2)n1.
What is the InChIKey of 1-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
The InChIKey is RZEKKYCPFLPOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-11-3-7-23(20-11)8-5-16(24)22-6-4-14-13(10-22)17(19-18-14)15-9-12(2)25-21-15/h3,7,9H,4-6,8,10H2,1-2H3,(H,18,19).
What are the key properties of 1-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
1-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3-methylpyrazol-1-yl)propan-1-one has a molecular weight of 340.39 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 31193814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).