4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-2-propan-2-yl-1,3-oxazole

C15H22N4O — CID 74238514

IUPAC4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-2-propan-2-yl-1,3-oxazole
SMILESCCc1n[nH]c2c1CN(Cc1coc(C(C)C)n1)CC2
InChIInChI=1S/C15H22N4O/c1-4-13-12-8-19(6-5-14(12)18-17-13)7-11-9-20-15(16-11)10(2)3/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyMMKDSGNOYJKRKJ-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.64
Rot. Bonds4

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

4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-2-propan-2-yl-1,3-oxazole (PubChem CID 74238514) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-2-propan-2-yl-1,3-oxazole
PubChem CID74238514
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-2-propan-2-yl-1,3-oxazole
SMILESCCc1n[nH]c2c1CN(Cc1coc(C(C)C)n1)CC2
InChIInChI=1S/C15H22N4O/c1-4-13-12-8-19(6-5-14(12)18-17-13)7-11-9-20-15(16-11)10(2)3/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyMMKDSGNOYJKRKJ-UHFFFAOYSA-N
XLogP2.64
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-2-propan-2-yl-1,3-oxazole (CID 74238514) is 4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-2-propan-2-yl-1,3-oxazole is CCc1n[nH]c2c1CN(Cc1coc(C(C)C)n1)CC2.
What is the InChIKey of 4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-2-propan-2-yl-1,3-oxazole?
The InChIKey is MMKDSGNOYJKRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-13-12-8-19(6-5-14(12)18-17-13)7-11-9-20-15(16-11)10(2)3/h9-10H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-2-propan-2-yl-1,3-oxazole?
4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-2-propan-2-yl-1,3-oxazole has a molecular weight of 274.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 74238514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).