3-(3,5-dimethylpyrazol-1-yl)-1-[(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one

C16H23N5O2 — CID 87053071

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1-[(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2C[C@@H](C)[C@H](c3nc(C)no3)C2)n1
InChIInChI=1S/C16H23N5O2/c1-10-8-20(9-14(10)16-17-13(4)19-23-16)15(22)5-6-21-12(3)7-11(2)18-21/h7,10,14H,5-6,8-9H2,1-4H3/t10-,14-/m1/s1
InChIKeyJPKYJIQRPHTNRC-QMTHXVAHSA-N
MW317.39 g/mol
LogP1.84
Rot. Bonds4

About 3-(3,5-dimethylpyrazol-1-yl)-1-[(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one

3-(3,5-dimethylpyrazol-1-yl)-1-[(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 87053071) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1-[(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-1-[(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID87053071
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1-[(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2C[C@@H](C)[C@H](c3nc(C)no3)C2)n1
InChIInChI=1S/C16H23N5O2/c1-10-8-20(9-14(10)16-17-13(4)19-23-16)15(22)5-6-21-12(3)7-11(2)18-21/h7,10,14H,5-6,8-9H2,1-4H3/t10-,14-/m1/s1
InChIKeyJPKYJIQRPHTNRC-QMTHXVAHSA-N
XLogP1.84
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(3,5-dimethylpyrazol-1-yl)-1-[(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one (CID 87053071) is 3-(3,5-dimethylpyrazol-1-yl)-1-[(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-1-[(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-1-[(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one is Cc1cc(C)n(CCC(=O)N2C[C@@H](C)[C@H](c3nc(C)no3)C2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1-[(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is JPKYJIQRPHTNRC-QMTHXVAHSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-10-8-20(9-14(10)16-17-13(4)19-23-16)15(22)5-6-21-12(3)7-11(2)18-21/h7,10,14H,5-6,8-9H2,1-4H3/t10-,14-/m1/s1.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1-[(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one?
3-(3,5-dimethylpyrazol-1-yl)-1-[(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 317.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-1-[(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 87053071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).