N-cyclopentyl-1-(2,6-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

C22H30N4O — CID 20924246

IUPACN-cyclopentyl-1-(2,6-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCc1cccc(C)c1-n1ncc(C(=O)NC2CCCC2)c1C1CCNCC1
InChIInChI=1S/C22H30N4O/c1-15-6-5-7-16(2)20(15)26-21(17-10-12-23-13-11-17)19(14-24-26)22(27)25-18-8-3-4-9-18/h5-7,14,17-18,23H,3-4,8-13H2,1-2H3,(H,25,27)
InChIKeyNKZFBKUWUIWQEM-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.63
Rot. Bonds4

About N-cyclopentyl-1-(2,6-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

N-cyclopentyl-1-(2,6-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 20924246) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-cyclopentyl-1-(2,6-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(2,6-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID20924246
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-cyclopentyl-1-(2,6-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCc1cccc(C)c1-n1ncc(C(=O)NC2CCCC2)c1C1CCNCC1
InChIInChI=1S/C22H30N4O/c1-15-6-5-7-16(2)20(15)26-21(17-10-12-23-13-11-17)19(14-24-26)22(27)25-18-8-3-4-9-18/h5-7,14,17-18,23H,3-4,8-13H2,1-2H3,(H,25,27)
InChIKeyNKZFBKUWUIWQEM-UHFFFAOYSA-N
XLogP3.63
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(2,6-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-(2,6-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (CID 20924246) is N-cyclopentyl-1-(2,6-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(2,6-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(2,6-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is Cc1cccc(C)c1-n1ncc(C(=O)NC2CCCC2)c1C1CCNCC1.
What is the InChIKey of N-cyclopentyl-1-(2,6-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is NKZFBKUWUIWQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-15-6-5-7-16(2)20(15)26-21(17-10-12-23-13-11-17)19(14-24-26)22(27)25-18-8-3-4-9-18/h5-7,14,17-18,23H,3-4,8-13H2,1-2H3,(H,25,27).
What are the key properties of N-cyclopentyl-1-(2,6-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
N-cyclopentyl-1-(2,6-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(2,6-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20924246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).