4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide

C23H24Cl2N6O — CID 46226082

IUPAC4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
SMILES[H]/N=C(\N)Cc1c(C(=O)NN2CCCCC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H24Cl2N6O/c24-16-10-8-15(9-11-16)22-17(14-20(26)27)21(23(32)29-30-12-4-1-5-13-30)28-31(22)19-7-3-2-6-18(19)25/h2-3,6-11H,1,4-5,12-14H2,(H3,26,27)(H,29,32)
InChIKeyNTBCKEBLAKIMOW-UHFFFAOYSA-N
MW471.39 g/mol
LogP4.46
Rot. Bonds6

About 4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide

4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide (PubChem CID 46226082) has the molecular formula C23H24Cl2N6O and a molecular weight of 471.39 g/mol. Its IUPAC name is 4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
PubChem CID46226082
Molecular FormulaC23H24Cl2N6O
Molecular Weight471.39 g/mol
Exact Mass470.14
IUPAC Name4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
SMILES[H]/N=C(\N)Cc1c(C(=O)NN2CCCCC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H24Cl2N6O/c24-16-10-8-15(9-11-16)22-17(14-20(26)27)21(23(32)29-30-12-4-1-5-13-30)28-31(22)19-7-3-2-6-18(19)25/h2-3,6-11H,1,4-5,12-14H2,(H3,26,27)(H,29,32)
InChIKeyNTBCKEBLAKIMOW-UHFFFAOYSA-N
XLogP4.46
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.39
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-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 4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide?
The IUPAC name of 4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide (CID 46226082) is 4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide is [H]/N=C(\N)Cc1c(C(=O)NN2CCCCC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide?
The InChIKey is NTBCKEBLAKIMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N6O/c24-16-10-8-15(9-11-16)22-17(14-20(26)27)21(23(32)29-30-12-4-1-5-13-30)28-31(22)19-7-3-2-6-18(19)25/h2-3,6-11H,1,4-5,12-14H2,(H3,26,27)(H,29,32).
What are the key properties of 4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide?
4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide has a molecular weight of 471.39 g/mol, XLogP of 4.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 46226082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).