N-[2-(4-chlorophenyl)ethyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide

C20H22ClN5O — CID 134799593

IUPACN-[2-(4-chlorophenyl)ethyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C20H22ClN5O/c21-17-3-1-15(2-4-17)5-10-23-20(27)16-8-13-25(14-9-16)19-7-11-22-18-6-12-24-26(18)19/h1-4,6-7,11-12,16H,5,8-10,13-14H2,(H,23,27)
InChIKeyKESQFXQSPDUWEJ-UHFFFAOYSA-N
MW383.88 g/mol
LogP2.96
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide (PubChem CID 134799593) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
PubChem CID134799593
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C20H22ClN5O/c21-17-3-1-15(2-4-17)5-10-23-20(27)16-8-13-25(14-9-16)19-7-11-22-18-6-12-24-26(18)19/h1-4,6-7,11-12,16H,5,8-10,13-14H2,(H,23,27)
InChIKeyKESQFXQSPDUWEJ-UHFFFAOYSA-N
XLogP2.96
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442114
N-(3-phenylpropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
CID 134796592
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 86991814
N-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 4072850
N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 112529064
N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110853463
N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344066
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442082
1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 113005002
N-[2-(4-chlorophenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 112529041
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 46358412

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide (CID 134799593) is N-[2-(4-chlorophenyl)ethyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide is O=C(NCCc1ccc(Cl)cc1)C1CCN(c2ccnc3ccnn23)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide?
The InChIKey is KESQFXQSPDUWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O/c21-17-3-1-15(2-4-17)5-10-23-20(27)16-8-13-25(14-9-16)19-7-11-22-18-6-12-24-26(18)19/h1-4,6-7,11-12,16H,5,8-10,13-14H2,(H,23,27).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide has a molecular weight of 383.88 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide is sourced from PubChem (CID 134799593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).