(3S)-3-acetamido-N-(1-tert-butyl-4-phenylpyrazol-5-yl)pyrrolidine-1-carboxamide

C20H27N5O2 — CID 97453564

IUPAC(3S)-3-acetamido-N-(1-tert-butyl-4-phenylpyrazol-5-yl)pyrrolidine-1-carboxamide
SMILESCC(=O)N[C@H]1CCN(C(=O)Nc2c(-c3ccccc3)cnn2C(C)(C)C)C1
InChIInChI=1S/C20H27N5O2/c1-14(26)22-16-10-11-24(13-16)19(27)23-18-17(15-8-6-5-7-9-15)12-21-25(18)20(2,3)4/h5-9,12,16H,10-11,13H2,1-4H3,(H,22,26)(H,23,27)/t16-/m0/s1
InChIKeyOSTVIFFLWAWHRL-INIZCTEOSA-N
MW369.47 g/mol
LogP3.05
Rot. Bonds3

About (3S)-3-acetamido-N-(1-tert-butyl-4-phenylpyrazol-5-yl)pyrrolidine-1-carboxamide

(3S)-3-acetamido-N-(1-tert-butyl-4-phenylpyrazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 97453564) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (3S)-3-acetamido-N-(1-tert-butyl-4-phenylpyrazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-(1-tert-butyl-4-phenylpyrazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID97453564
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name(3S)-3-acetamido-N-(1-tert-butyl-4-phenylpyrazol-5-yl)pyrrolidine-1-carboxamide
SMILESCC(=O)N[C@H]1CCN(C(=O)Nc2c(-c3ccccc3)cnn2C(C)(C)C)C1
InChIInChI=1S/C20H27N5O2/c1-14(26)22-16-10-11-24(13-16)19(27)23-18-17(15-8-6-5-7-9-15)12-21-25(18)20(2,3)4/h5-9,12,16H,10-11,13H2,1-4H3,(H,22,26)(H,23,27)/t16-/m0/s1
InChIKeyOSTVIFFLWAWHRL-INIZCTEOSA-N
XLogP3.05
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-3-acetamido-N-(1-tert-butyl-4-phenylpyrazol-5-yl)pyrrolidine-1-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 (3S)-3-acetamido-N-(1-tert-butyl-4-phenylpyrazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-acetamido-N-(1-tert-butyl-4-phenylpyrazol-5-yl)pyrrolidine-1-carboxamide (CID 97453564) is (3S)-3-acetamido-N-(1-tert-butyl-4-phenylpyrazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-acetamido-N-(1-tert-butyl-4-phenylpyrazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-acetamido-N-(1-tert-butyl-4-phenylpyrazol-5-yl)pyrrolidine-1-carboxamide is CC(=O)N[C@H]1CCN(C(=O)Nc2c(-c3ccccc3)cnn2C(C)(C)C)C1.
What is the InChIKey of (3S)-3-acetamido-N-(1-tert-butyl-4-phenylpyrazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is OSTVIFFLWAWHRL-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14(26)22-16-10-11-24(13-16)19(27)23-18-17(15-8-6-5-7-9-15)12-21-25(18)20(2,3)4/h5-9,12,16H,10-11,13H2,1-4H3,(H,22,26)(H,23,27)/t16-/m0/s1.
What are the key properties of (3S)-3-acetamido-N-(1-tert-butyl-4-phenylpyrazol-5-yl)pyrrolidine-1-carboxamide?
(3S)-3-acetamido-N-(1-tert-butyl-4-phenylpyrazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 369.47 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 (3S)-3-acetamido-N-(1-tert-butyl-4-phenylpyrazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97453564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).