1-tert-butyl-3-(2-chlorophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide

C18H23ClN4O — CID 119449855

IUPAC1-tert-butyl-3-(2-chlorophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide
SMILESCC(C)(C)n1cc(C(=O)NC2CCNC2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C18H23ClN4O/c1-18(2,3)23-11-14(17(24)21-12-8-9-20-10-12)16(22-23)13-6-4-5-7-15(13)19/h4-7,11-12,20H,8-10H2,1-3H3,(H,21,24)
InChIKeyIAXCTUHOMSDJMW-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.05
Rot. Bonds3

About 1-tert-butyl-3-(2-chlorophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide

1-tert-butyl-3-(2-chlorophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide (PubChem CID 119449855) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-tert-butyl-3-(2-chlorophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-3-(2-chlorophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide
PubChem CID119449855
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name1-tert-butyl-3-(2-chlorophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide
SMILESCC(C)(C)n1cc(C(=O)NC2CCNC2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C18H23ClN4O/c1-18(2,3)23-11-14(17(24)21-12-8-9-20-10-12)16(22-23)13-6-4-5-7-15(13)19/h4-7,11-12,20H,8-10H2,1-3H3,(H,21,24)
InChIKeyIAXCTUHOMSDJMW-UHFFFAOYSA-N
XLogP3.05
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-3-(2-chlorophenyl)-N-pyrrolidin-3-ylpyrazole-4-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-tert-butyl-3-(2-chlorophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-3-(2-chlorophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide (CID 119449855) is 1-tert-butyl-3-(2-chlorophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-3-(2-chlorophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-3-(2-chlorophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide is CC(C)(C)n1cc(C(=O)NC2CCNC2)c(-c2ccccc2Cl)n1.
What is the InChIKey of 1-tert-butyl-3-(2-chlorophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide?
The InChIKey is IAXCTUHOMSDJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-18(2,3)23-11-14(17(24)21-12-8-9-20-10-12)16(22-23)13-6-4-5-7-15(13)19/h4-7,11-12,20H,8-10H2,1-3H3,(H,21,24).
What are the key properties of 1-tert-butyl-3-(2-chlorophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide?
1-tert-butyl-3-(2-chlorophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2-chlorophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 119449855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).