N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H19N5O3 — CID 138993943

IUPACN-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(N2CCCC(NC(=O)c3c[nH]n4c(=O)ccnc34)C2=O)cc1
InChIInChI=1S/C19H19N5O3/c1-12-4-6-13(7-5-12)23-10-2-3-15(19(23)27)22-18(26)14-11-21-24-16(25)8-9-20-17(14)24/h4-9,11,15,21H,2-3,10H2,1H3,(H,22,26)
InChIKeyLLZNMLWPMOGCRX-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.26
Rot. Bonds3

About N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 138993943) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID138993943
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(N2CCCC(NC(=O)c3c[nH]n4c(=O)ccnc34)C2=O)cc1
InChIInChI=1S/C19H19N5O3/c1-12-4-6-13(7-5-12)23-10-2-3-15(19(23)27)22-18(26)14-11-21-24-16(25)8-9-20-17(14)24/h4-9,11,15,21H,2-3,10H2,1H3,(H,22,26)
InChIKeyLLZNMLWPMOGCRX-UHFFFAOYSA-N
XLogP1.26
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 138993943) is N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(N2CCCC(NC(=O)c3c[nH]n4c(=O)ccnc34)C2=O)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LLZNMLWPMOGCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-12-4-6-13(7-5-12)23-10-2-3-15(19(23)27)22-18(26)14-11-21-24-16(25)8-9-20-17(14)24/h4-9,11,15,21H,2-3,10H2,1H3,(H,22,26).
What are the key properties of N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 138993943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).