N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

C23H23ClN4O3 — CID 20924021

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cnn(-c2ccc(Cl)cc2)c1C1CCNCC1
InChIInChI=1S/C23H23ClN4O3/c24-17-2-4-18(5-3-17)28-22(16-7-9-25-10-8-16)19(13-27-28)23(29)26-12-15-1-6-20-21(11-15)31-14-30-20/h1-6,11,13,16,25H,7-10,12,14H2,(H,26,29)
InChIKeyBEUZWCKKRQVSBO-UHFFFAOYSA-N
MW438.92 g/mol
LogP3.65
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 20924021) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID20924021
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cnn(-c2ccc(Cl)cc2)c1C1CCNCC1
InChIInChI=1S/C23H23ClN4O3/c24-17-2-4-18(5-3-17)28-22(16-7-9-25-10-8-16)19(13-27-28)23(29)26-12-15-1-6-20-21(11-15)31-14-30-20/h1-6,11,13,16,25H,7-10,12,14H2,(H,26,29)
InChIKeyBEUZWCKKRQVSBO-UHFFFAOYSA-N
XLogP3.65
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-5-piperidin-4-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 N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (CID 20924021) is N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1cnn(-c2ccc(Cl)cc2)c1C1CCNCC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is BEUZWCKKRQVSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c24-17-2-4-18(5-3-17)28-22(16-7-9-25-10-8-16)19(13-27-28)23(29)26-12-15-1-6-20-21(11-15)31-14-30-20/h1-6,11,13,16,25H,7-10,12,14H2,(H,26,29).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 438.92 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20924021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).