1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide

C28H30ClN5O — CID 46378481

IUPAC1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)NCCCc3ccccc3)CC2)n2nc(-c3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C28H30ClN5O/c1-20-18-27(34-26(31-20)19-25(32-34)22-9-11-24(29)12-10-22)33-16-13-23(14-17-33)28(35)30-15-5-8-21-6-3-2-4-7-21/h2-4,6-7,9-12,18-19,23H,5,8,13-17H2,1H3,(H,30,35)
InChIKeyZSKMCSLELAAAIH-UHFFFAOYSA-N
MW488.04 g/mol
LogP5.32
Rot. Bonds7

About 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide

1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide (PubChem CID 46378481) has the molecular formula C28H30ClN5O and a molecular weight of 488.04 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
PubChem CID46378481
Molecular FormulaC28H30ClN5O
Molecular Weight488.04 g/mol
Exact Mass487.21
IUPAC Name1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)NCCCc3ccccc3)CC2)n2nc(-c3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C28H30ClN5O/c1-20-18-27(34-26(31-20)19-25(32-34)22-9-11-24(29)12-10-22)33-16-13-23(14-17-33)28(35)30-15-5-8-21-6-3-2-4-7-21/h2-4,6-7,9-12,18-19,23H,5,8,13-17H2,1H3,(H,30,35)
InChIKeyZSKMCSLELAAAIH-UHFFFAOYSA-N
XLogP5.32
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.04
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide
CID 50822054
N-[(3-chlorophenyl)methyl]-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378425
N-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378543
N-(2-methoxyethyl)-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
CID 50822103
1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 92880391
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 46378495
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 46378501
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 46378505
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 46378469
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 46378474
N-[2-(cyclohexen-1-yl)ethyl]-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378454
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-ethoxyphenyl)piperidine-4-carboxamide
CID 46378480

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide (CID 46378481) is 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide is Cc1cc(N2CCC(C(=O)NCCCc3ccccc3)CC2)n2nc(-c3ccc(Cl)cc3)cc2n1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide?
The InChIKey is ZSKMCSLELAAAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN5O/c1-20-18-27(34-26(31-20)19-25(32-34)22-9-11-24(29)12-10-22)33-16-13-23(14-17-33)28(35)30-15-5-8-21-6-3-2-4-7-21/h2-4,6-7,9-12,18-19,23H,5,8,13-17H2,1H3,(H,30,35).
What are the key properties of 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide?
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide has a molecular weight of 488.04 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 46378481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).