N-(3-chlorophenyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide

C18H18ClN5O — CID 134797259

IUPACN-(3-chlorophenyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCCN(c2ccnc3ccnn23)C1
InChIInChI=1S/C18H18ClN5O/c19-14-4-1-5-15(11-14)22-18(25)13-3-2-10-23(12-13)17-7-8-20-16-6-9-21-24(16)17/h1,4-9,11,13H,2-3,10,12H2,(H,22,25)
InChIKeyKEBHCSCIMXJRCF-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.24
Rot. Bonds3

About N-(3-chlorophenyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide

N-(3-chlorophenyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide (PubChem CID 134797259) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
PubChem CID134797259
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC NameN-(3-chlorophenyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCCN(c2ccnc3ccnn23)C1
InChIInChI=1S/C18H18ClN5O/c19-14-4-1-5-15(11-14)22-18(25)13-3-2-10-23(12-13)17-7-8-20-16-6-9-21-24(16)17/h1,4-9,11,13H,2-3,10,12H2,(H,22,25)
InChIKeyKEBHCSCIMXJRCF-UHFFFAOYSA-N
XLogP3.24
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide (CID 134797259) is N-(3-chlorophenyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide is O=C(Nc1cccc(Cl)c1)C1CCCN(c2ccnc3ccnn23)C1.
What is the InChIKey of N-(3-chlorophenyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide?
The InChIKey is KEBHCSCIMXJRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c19-14-4-1-5-15(11-14)22-18(25)13-3-2-10-23(12-13)17-7-8-20-16-6-9-21-24(16)17/h1,4-9,11,13H,2-3,10,12H2,(H,22,25).
What are the key properties of N-(3-chlorophenyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide?
N-(3-chlorophenyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide is sourced from PubChem (CID 134797259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).