1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-cyclopentylpiperidine-4-carboxamide

C25H30ClN5O — CID 20861632

IUPAC1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-cyclopentylpiperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)NC3CCCC3)CC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C25H30ClN5O/c1-16-15-22(30-13-11-19(12-14-30)25(32)28-21-5-3-4-6-21)31-24(27-16)23(17(2)29-31)18-7-9-20(26)10-8-18/h7-10,15,19,21H,3-6,11-14H2,1-2H3,(H,28,32)
InChIKeyYMCBMGTWLKHSQI-UHFFFAOYSA-N
MW452.00 g/mol
LogP4.94
Rot. Bonds4

About 1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-cyclopentylpiperidine-4-carboxamide

1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-cyclopentylpiperidine-4-carboxamide (PubChem CID 20861632) has the molecular formula C25H30ClN5O and a molecular weight of 452.00 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-cyclopentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-cyclopentylpiperidine-4-carboxamide
PubChem CID20861632
Molecular FormulaC25H30ClN5O
Molecular Weight452.00 g/mol
Exact Mass451.21
IUPAC Name1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-cyclopentylpiperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)NC3CCCC3)CC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C25H30ClN5O/c1-16-15-22(30-13-11-19(12-14-30)25(32)28-21-5-3-4-6-21)31-24(27-16)23(17(2)29-31)18-7-9-20(26)10-8-18/h7-10,15,19,21H,3-6,11-14H2,1-2H3,(H,28,32)
InChIKeyYMCBMGTWLKHSQI-UHFFFAOYSA-N
XLogP4.94
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.00
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-cyclopentylpiperidine-4-carboxamide with MolForge

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Related Compounds

1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 20861647
[1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 92665010
N-cycloheptyl-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
CID 46378584
2-[4-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-ium-1-yl]ethanol
CID 7740141
2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline
CID 4144182
7-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 3785760
3-(4-fluorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 46299110
1-[4-[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone
CID 16674762
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 46378469
1-[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-cyclopropylpiperidine-4-carboxamide
CID 50783122
1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(oxan-4-yl)piperidine-4-carboxamide
CID 171993207
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 46378505

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-cyclopentylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-cyclopentylpiperidine-4-carboxamide (CID 20861632) is 1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-cyclopentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-cyclopentylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-cyclopentylpiperidine-4-carboxamide is Cc1cc(N2CCC(C(=O)NC3CCCC3)CC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-cyclopentylpiperidine-4-carboxamide?
The InChIKey is YMCBMGTWLKHSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O/c1-16-15-22(30-13-11-19(12-14-30)25(32)28-21-5-3-4-6-21)31-24(27-16)23(17(2)29-31)18-7-9-20(26)10-8-18/h7-10,15,19,21H,3-6,11-14H2,1-2H3,(H,28,32).
What are the key properties of 1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-cyclopentylpiperidine-4-carboxamide?
1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-cyclopentylpiperidine-4-carboxamide has a molecular weight of 452.00 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-cyclopentylpiperidine-4-carboxamide is sourced from PubChem (CID 20861632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).