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

C21H25N5OS — CID 45174534

IUPAC1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)n1cc(CN2CCCC2C(=O)Nc2ccc(-c3cscn3)cc2)cn1
InChIInChI=1S/C21H25N5OS/c1-15(2)26-12-16(10-23-26)11-25-9-3-4-20(25)21(27)24-18-7-5-17(6-8-18)19-13-28-14-22-19/h5-8,10,12-15,20H,3-4,9,11H2,1-2H3,(H,24,27)
InChIKeyXBQABHCJNQOXAU-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.19
Rot. Bonds6

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

1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 45174534) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID45174534
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC Name1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)n1cc(CN2CCCC2C(=O)Nc2ccc(-c3cscn3)cc2)cn1
InChIInChI=1S/C21H25N5OS/c1-15(2)26-12-16(10-23-26)11-25-9-3-4-20(25)21(27)24-18-7-5-17(6-8-18)19-13-28-14-22-19/h5-8,10,12-15,20H,3-4,9,11H2,1-2H3,(H,24,27)
InChIKeyXBQABHCJNQOXAU-UHFFFAOYSA-N
XLogP4.19
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide 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 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide (CID 45174534) is 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide is CC(C)n1cc(CN2CCCC2C(=O)Nc2ccc(-c3cscn3)cc2)cn1.
What is the InChIKey of 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is XBQABHCJNQOXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-15(2)26-12-16(10-23-26)11-25-9-3-4-20(25)21(27)24-18-7-5-17(6-8-18)19-13-28-14-22-19/h5-8,10,12-15,20H,3-4,9,11H2,1-2H3,(H,24,27).
What are the key properties of 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 45174534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).