2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide

C17H25N5OS — CID 75442499

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide
SMILESCc1csc(CCCNC(=O)N2CCCC2c2c(C)n[nH]c2C)n1
InChIInChI=1S/C17H25N5OS/c1-11-10-24-15(19-11)7-4-8-18-17(23)22-9-5-6-14(22)16-12(2)20-21-13(16)3/h10,14H,4-9H2,1-3H3,(H,18,23)(H,20,21)
InChIKeyOBQGLJVNPCJNTH-UHFFFAOYSA-N
MW347.49 g/mol
LogP3.27
Rot. Bonds5

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide (PubChem CID 75442499) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide
PubChem CID75442499
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide
SMILESCc1csc(CCCNC(=O)N2CCCC2c2c(C)n[nH]c2C)n1
InChIInChI=1S/C17H25N5OS/c1-11-10-24-15(19-11)7-4-8-18-17(23)22-9-5-6-14(22)16-12(2)20-21-13(16)3/h10,14H,4-9H2,1-3H3,(H,18,23)(H,20,21)
InChIKeyOBQGLJVNPCJNTH-UHFFFAOYSA-N
XLogP3.27
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide (CID 75442499) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide is Cc1csc(CCCNC(=O)N2CCCC2c2c(C)n[nH]c2C)n1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide?
The InChIKey is OBQGLJVNPCJNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-11-10-24-15(19-11)7-4-8-18-17(23)22-9-5-6-14(22)16-12(2)20-21-13(16)3/h10,14H,4-9H2,1-3H3,(H,18,23)(H,20,21).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide has a molecular weight of 347.49 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 75442499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).