1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide

C20H23N5OS — CID 45210655

IUPAC1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1c(CN2CCCC2C(=O)Nc2ccc(-c3cscn3)cc2)cnn1C
InChIInChI=1S/C20H23N5OS/c1-14-16(10-22-24(14)2)11-25-9-3-4-19(25)20(26)23-17-7-5-15(6-8-17)18-12-27-13-21-18/h5-8,10,12-13,19H,3-4,9,11H2,1-2H3,(H,23,26)
InChIKeyXSXKGCSQDKTBFP-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.46
Rot. Bonds5

About 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide

1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 45210655) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID45210655
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1c(CN2CCCC2C(=O)Nc2ccc(-c3cscn3)cc2)cnn1C
InChIInChI=1S/C20H23N5OS/c1-14-16(10-22-24(14)2)11-25-9-3-4-19(25)20(26)23-17-7-5-15(6-8-17)18-12-27-13-21-18/h5-8,10,12-13,19H,3-4,9,11H2,1-2H3,(H,23,26)
InChIKeyXSXKGCSQDKTBFP-UHFFFAOYSA-N
XLogP3.46
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide (CID 45210655) is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide is Cc1c(CN2CCCC2C(=O)Nc2ccc(-c3cscn3)cc2)cnn1C.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is XSXKGCSQDKTBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-14-16(10-22-24(14)2)11-25-9-3-4-19(25)20(26)23-17-7-5-15(6-8-17)18-12-27-13-21-18/h5-8,10,12-13,19H,3-4,9,11H2,1-2H3,(H,23,26).
What are the key properties of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 381.51 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 45210655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).