5-[(3R)-1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide

C20H21N5O3S — CID 129325534

IUPAC5-[(3R)-1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1[C@@H]1CCCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)C1
InChIInChI=1S/C20H21N5O3S/c21-19(26)15-7-22-24-18(15)13-2-1-5-25(8-13)9-14-10-29-20(23-14)12-3-4-16-17(6-12)28-11-27-16/h3-4,6-7,10,13H,1-2,5,8-9,11H2,(H2,21,26)(H,22,24)/t13-/m1/s1
InChIKeyZNVXCLNQVIZSHR-CYBMUJFWSA-N
MW411.49 g/mol
LogP2.74
Rot. Bonds5

About 5-[(3R)-1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide

5-[(3R)-1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 129325534) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is 5-[(3R)-1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3R)-1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID129325534
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC Name5-[(3R)-1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1[C@@H]1CCCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)C1
InChIInChI=1S/C20H21N5O3S/c21-19(26)15-7-22-24-18(15)13-2-1-5-25(8-13)9-14-10-29-20(23-14)12-3-4-16-17(6-12)28-11-27-16/h3-4,6-7,10,13H,1-2,5,8-9,11H2,(H2,21,26)(H,22,24)/t13-/m1/s1
InChIKeyZNVXCLNQVIZSHR-CYBMUJFWSA-N
XLogP2.74
TPSA106.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[(3R)-1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-yl]-1H-pyrazole-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

Related Compounds

(2S)-1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidine-2-carboxamide
CID 95161172
2-(1,3-benzodioxol-5-yl)-4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 120968502
(2R)-1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 95292660
4-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-2-(1,3-benzodioxol-5-yl)-1,3-thiazole
CID 154741223
1-[1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]ethanol
CID 111113951
(2R)-1-[2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119371873
2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetic acid
CID 43327447
5-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 128968595
2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone;dihydrochloride
CID 119403357
2-(1,3-benzodioxol-5-yl)-4-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylsulfinylmethyl]-1,3-thiazole
CID 167982842
[3-(aminomethyl)pyrrolidin-1-yl]-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119485198
2-[(3R)-1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]-1,3-benzoxazole
CID 30868127

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(3R)-1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide (CID 129325534) is 5-[(3R)-1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(3R)-1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(3R)-1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide is NC(=O)c1cn[nH]c1[C@@H]1CCCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)C1.
What is the InChIKey of 5-[(3R)-1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is ZNVXCLNQVIZSHR-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21N5O3S/c21-19(26)15-7-22-24-18(15)13-2-1-5-25(8-13)9-14-10-29-20(23-14)12-3-4-16-17(6-12)28-11-27-16/h3-4,6-7,10,13H,1-2,5,8-9,11H2,(H2,21,26)(H,22,24)/t13-/m1/s1.
What are the key properties of 5-[(3R)-1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
5-[(3R)-1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 411.49 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 129325534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).