[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone

C15H21N5OS — CID 91787174

IUPAC[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCC(n2nc(C)cc2C)C1
InChIInChI=1S/C15H21N5OS/c1-4-5-13-14(22-18-16-13)15(21)19-7-6-12(9-19)20-11(3)8-10(2)17-20/h8,12H,4-7,9H2,1-3H3
InChIKeyCDRAZOZCJSOIAR-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.39
Rot. Bonds4

About [3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone

[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone (PubChem CID 91787174) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is [3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
PubChem CID91787174
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCC(n2nc(C)cc2C)C1
InChIInChI=1S/C15H21N5OS/c1-4-5-13-14(22-18-16-13)15(21)19-7-6-12(9-19)20-11(3)8-10(2)17-20/h8,12H,4-7,9H2,1-3H3
InChIKeyCDRAZOZCJSOIAR-UHFFFAOYSA-N
XLogP2.39
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of [3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone (CID 91787174) is [3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for [3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for [3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCC(n2nc(C)cc2C)C1.
What is the InChIKey of [3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is CDRAZOZCJSOIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-4-5-13-14(22-18-16-13)15(21)19-7-6-12(9-19)20-11(3)8-10(2)17-20/h8,12H,4-7,9H2,1-3H3.
What are the key properties of [3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 319.43 g/mol, XLogP of 2.39, 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)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 91787174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).