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

C19H20ClN5O — CID 134798392

IUPACN-[(4-chlorophenyl)methyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C19H20ClN5O/c20-16-3-1-14(2-4-16)13-22-19(26)15-7-11-24(12-8-15)18-6-9-21-17-5-10-23-25(17)18/h1-6,9-10,15H,7-8,11-13H2,(H,22,26)
InChIKeyNXMFCBUVUOYRQW-UHFFFAOYSA-N
MW369.86 g/mol
LogP2.92
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide (PubChem CID 134798392) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
PubChem CID134798392
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC NameN-[(4-chlorophenyl)methyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C19H20ClN5O/c20-16-3-1-14(2-4-16)13-22-19(26)15-7-11-24(12-8-15)18-6-9-21-17-5-10-23-25(17)18/h1-6,9-10,15H,7-8,11-13H2,(H,22,26)
InChIKeyNXMFCBUVUOYRQW-UHFFFAOYSA-N
XLogP2.92
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide (CID 134798392) is N-[(4-chlorophenyl)methyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide is O=C(NCc1ccc(Cl)cc1)C1CCN(c2ccnc3ccnn23)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide?
The InChIKey is NXMFCBUVUOYRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c20-16-3-1-14(2-4-16)13-22-19(26)15-7-11-24(12-8-15)18-6-9-21-17-5-10-23-25(17)18/h1-6,9-10,15H,7-8,11-13H2,(H,22,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide has a molecular weight of 369.86 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide is sourced from PubChem (CID 134798392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).