1-(4-chlorophenyl)-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide

C19H20ClN5O — CID 24768458

IUPAC1-(4-chlorophenyl)-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide
SMILESO=C(NN1CCCCC1)c1cc(-n2cccc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H20ClN5O/c20-15-6-8-16(9-7-15)25-18(23-10-4-5-11-23)14-17(21-25)19(26)22-24-12-2-1-3-13-24/h4-11,14H,1-3,12-13H2,(H,22,26)
InChIKeyBNSNZABUVFFRKP-UHFFFAOYSA-N
MW369.86 g/mol
LogP3.45
Rot. Bonds4

About 1-(4-chlorophenyl)-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide

1-(4-chlorophenyl)-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide (PubChem CID 24768458) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide
PubChem CID24768458
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name1-(4-chlorophenyl)-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide
SMILESO=C(NN1CCCCC1)c1cc(-n2cccc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H20ClN5O/c20-15-6-8-16(9-7-15)25-18(23-10-4-5-11-23)14-17(21-25)19(26)22-24-12-2-1-3-13-24/h4-11,14H,1-3,12-13H2,(H,22,26)
InChIKeyBNSNZABUVFFRKP-UHFFFAOYSA-N
XLogP3.45
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenyl)-N-piperidin-1-yl-5-pyrrol-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 1-(4-chlorophenyl)-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide (CID 24768458) is 1-(4-chlorophenyl)-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide is O=C(NN1CCCCC1)c1cc(-n2cccc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide?
The InChIKey is BNSNZABUVFFRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c20-15-6-8-16(9-7-15)25-18(23-10-4-5-11-23)14-17(21-25)19(26)22-24-12-2-1-3-13-24/h4-11,14H,1-3,12-13H2,(H,22,26).
What are the key properties of 1-(4-chlorophenyl)-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide?
1-(4-chlorophenyl)-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide has a molecular weight of 369.86 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 24768458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).