1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one

C19H27N5O2 — CID 70762036

IUPAC1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one
SMILESCC(C)c1cc(C2CCCN2C(=O)CCc2cc3n(n2)CCNC3)no1
InChIInChI=1S/C19H27N5O2/c1-13(2)18-11-16(22-26-18)17-4-3-8-23(17)19(25)6-5-14-10-15-12-20-7-9-24(15)21-14/h10-11,13,17,20H,3-9,12H2,1-2H3
InChIKeyDQVOXLQKXYPVCM-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.39
Rot. Bonds5

About 1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one

1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one (PubChem CID 70762036) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one
PubChem CID70762036
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one
SMILESCC(C)c1cc(C2CCCN2C(=O)CCc2cc3n(n2)CCNC3)no1
InChIInChI=1S/C19H27N5O2/c1-13(2)18-11-16(22-26-18)17-4-3-8-23(17)19(25)6-5-14-10-15-12-20-7-9-24(15)21-14/h10-11,13,17,20H,3-9,12H2,1-2H3
InChIKeyDQVOXLQKXYPVCM-UHFFFAOYSA-N
XLogP2.39
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one?
The IUPAC name of 1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one (CID 70762036) is 1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one.
What is the SMILES notation for 1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one?
The canonical SMILES for 1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one is CC(C)c1cc(C2CCCN2C(=O)CCc2cc3n(n2)CCNC3)no1.
What is the InChIKey of 1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one?
The InChIKey is DQVOXLQKXYPVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-13(2)18-11-16(22-26-18)17-4-3-8-23(17)19(25)6-5-14-10-15-12-20-7-9-24(15)21-14/h10-11,13,17,20H,3-9,12H2,1-2H3.
What are the key properties of 1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one?
1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one has a molecular weight of 357.46 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one is sourced from PubChem (CID 70762036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).