1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide

C22H27N5O — CID 50822054

IUPAC1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(c2cc(C)nc3cc(-c4ccccc4)nn23)CC1
InChIInChI=1S/C22H27N5O/c1-3-11-23-22(28)18-9-12-26(13-10-18)21-14-16(2)24-20-15-19(25-27(20)21)17-7-5-4-6-8-17/h4-8,14-15,18H,3,9-13H2,1-2H3,(H,23,28)
InChIKeyOIOSLQQTQHVRBI-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.45
Rot. Bonds5

About 1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide

1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide (PubChem CID 50822054) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide
PubChem CID50822054
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(c2cc(C)nc3cc(-c4ccccc4)nn23)CC1
InChIInChI=1S/C22H27N5O/c1-3-11-23-22(28)18-9-12-26(13-10-18)21-14-16(2)24-20-15-19(25-27(20)21)17-7-5-4-6-8-17/h4-8,14-15,18H,3,9-13H2,1-2H3,(H,23,28)
InChIKeyOIOSLQQTQHVRBI-UHFFFAOYSA-N
XLogP3.45
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
CID 50822103
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46378481
N-cycloheptyl-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
CID 46378584
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-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 50821899
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-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 46378566
N-[(3-chlorophenyl)methyl]-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378425
1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 50821927
1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 50822008
N-(2-chlorophenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 50822081
1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 50821797

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide (CID 50822054) is 1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(c2cc(C)nc3cc(-c4ccccc4)nn23)CC1.
What is the InChIKey of 1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide?
The InChIKey is OIOSLQQTQHVRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-3-11-23-22(28)18-9-12-26(13-10-18)21-14-16(2)24-20-15-19(25-27(20)21)17-7-5-4-6-8-17/h4-8,14-15,18H,3,9-13H2,1-2H3,(H,23,28).
What are the key properties of 1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide?
1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 50822054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).