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

C20H23N5OS — CID 45201235

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCCn1cc(CN2CCCC2C(=O)Nc2ccc(-c3cscn3)cc2)cn1
InChIInChI=1S/C20H23N5OS/c1-2-25-12-15(10-22-25)11-24-9-3-4-19(24)20(26)23-17-7-5-16(6-8-17)18-13-27-14-21-18/h5-8,10,12-14,19H,2-4,9,11H2,1H3,(H,23,26)
InChIKeyYINMZBDGCWDGOK-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.63
Rot. Bonds6

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

1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 45201235) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID45201235
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCCn1cc(CN2CCCC2C(=O)Nc2ccc(-c3cscn3)cc2)cn1
InChIInChI=1S/C20H23N5OS/c1-2-25-12-15(10-22-25)11-24-9-3-4-19(24)20(26)23-17-7-5-16(6-8-17)18-13-27-14-21-18/h5-8,10,12-14,19H,2-4,9,11H2,1H3,(H,23,26)
InChIKeyYINMZBDGCWDGOK-UHFFFAOYSA-N
XLogP3.63
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(1-ethylpyrazol-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-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide (CID 45201235) is 1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide is CCn1cc(CN2CCCC2C(=O)Nc2ccc(-c3cscn3)cc2)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is YINMZBDGCWDGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-2-25-12-15(10-22-25)11-24-9-3-4-19(24)20(26)23-17-7-5-16(6-8-17)18-13-27-14-21-18/h5-8,10,12-14,19H,2-4,9,11H2,1H3,(H,23,26).
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
1-[(1-ethylpyrazol-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 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 45201235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).