3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C17H25N5O2 — CID 56780547

IUPAC3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(C)n(CC2CCCN2CCC(=O)Nc2cc(C)on2)n1
InChIInChI=1S/C17H25N5O2/c1-12-9-13(2)22(19-12)11-15-5-4-7-21(15)8-6-17(23)18-16-10-14(3)24-20-16/h9-10,15H,4-8,11H2,1-3H3,(H,18,20,23)
InChIKeyXIVBAHSYSALPOL-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.29
Rot. Bonds6

About 3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 56780547) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID56780547
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(C)n(CC2CCCN2CCC(=O)Nc2cc(C)on2)n1
InChIInChI=1S/C17H25N5O2/c1-12-9-13(2)22(19-12)11-15-5-4-7-21(15)8-6-17(23)18-16-10-14(3)24-20-16/h9-10,15H,4-8,11H2,1-3H3,(H,18,20,23)
InChIKeyXIVBAHSYSALPOL-UHFFFAOYSA-N
XLogP2.29
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 56780547) is 3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(C)n(CC2CCCN2CCC(=O)Nc2cc(C)on2)n1.
What is the InChIKey of 3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is XIVBAHSYSALPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12-9-13(2)22(19-12)11-15-5-4-7-21(15)8-6-17(23)18-16-10-14(3)24-20-16/h9-10,15H,4-8,11H2,1-3H3,(H,18,20,23).
What are the key properties of 3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 331.42 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 56780547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).