N-(4-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H11ClN4O2 — CID 46507716

IUPACN-(4-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(=O)n2[nH]cc(C(=O)Nc3ccc(Cl)cc3)c2n1
InChIInChI=1S/C14H11ClN4O2/c1-8-6-12(20)19-13(17-8)11(7-16-19)14(21)18-10-4-2-9(15)3-5-10/h2-7,16H,1H3,(H,18,21)
InChIKeyUIIFYKVMPNDFKZ-UHFFFAOYSA-N
MW302.72 g/mol
LogP2.24
Rot. Bonds2

About N-(4-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(4-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 46507716) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID46507716
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC NameN-(4-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(=O)n2[nH]cc(C(=O)Nc3ccc(Cl)cc3)c2n1
InChIInChI=1S/C14H11ClN4O2/c1-8-6-12(20)19-13(17-8)11(7-16-19)14(21)18-10-4-2-9(15)3-5-10/h2-7,16H,1H3,(H,18,21)
InChIKeyUIIFYKVMPNDFKZ-UHFFFAOYSA-N
XLogP2.24
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-7-oxo-N-(3-propan-2-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50926691
5-methyl-7-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166277308
N-(4-fluoro-2-methylphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50926736
N-(4-chlorophenyl)-5-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110089373
N-(2-bromo-4-fluorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50926730
N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4548099
N-(4-chlorophenyl)-2-oxo-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-10-carboxamide
CID 50768718
N-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50926774
6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155406797
4-chloro-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
CID 930338
N-[2-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166277923
5-(1-methyl-5-oxopyrrolidin-3-yl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46973398

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 46507716) is N-(4-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(=O)n2[nH]cc(C(=O)Nc3ccc(Cl)cc3)c2n1.
What is the InChIKey of N-(4-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UIIFYKVMPNDFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2/c1-8-6-12(20)19-13(17-8)11(7-16-19)14(21)18-10-4-2-9(15)3-5-10/h2-7,16H,1H3,(H,18,21).
What are the key properties of N-(4-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 302.72 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46507716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).