5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

C14H11ClN4O3 — CID 90110904

IUPAC5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1cc(-c2cc(=O)n3[nH]c(C(N)=O)cc3n2)ccc1Cl
InChIInChI=1S/C14H11ClN4O3/c1-22-11-4-7(2-3-8(11)15)9-6-13(20)19-12(17-9)5-10(18-19)14(16)21/h2-6,18H,1H3,(H2,16,21)
InChIKeyCIWGADYDECDCPZ-UHFFFAOYSA-N
MW318.72 g/mol
LogP1.45
Rot. Bonds3

About 5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 90110904) has the molecular formula C14H11ClN4O3 and a molecular weight of 318.72 g/mol. Its IUPAC name is 5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID90110904
Molecular FormulaC14H11ClN4O3
Molecular Weight318.72 g/mol
Exact Mass318.05
IUPAC Name5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1cc(-c2cc(=O)n3[nH]c(C(N)=O)cc3n2)ccc1Cl
InChIInChI=1S/C14H11ClN4O3/c1-22-11-4-7(2-3-8(11)15)9-6-13(20)19-12(17-9)5-10(18-19)14(16)21/h2-6,18H,1H3,(H2,16,21)
InChIKeyCIWGADYDECDCPZ-UHFFFAOYSA-N
XLogP1.45
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.72
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 73603974
CID 73603974
CID 74221795
CID 74221795
CID 70925504
CID 70925504
CID 90108852
CID 90108852
CID 90111244
CID 90111244
CID 90111475
CID 90111475
CID 2819066
CID 2819066
CID 90111462
CID 90111462
CID 90112041
CID 90112041
CID 90112509
CID 90112509
CID 90126911
CID 90126911
CID 139921160
CID 139921160

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 90110904) is 5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1cc(-c2cc(=O)n3[nH]c(C(N)=O)cc3n2)ccc1Cl.
What is the InChIKey of 5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is CIWGADYDECDCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O3/c1-22-11-4-7(2-3-8(11)15)9-6-13(20)19-12(17-9)5-10(18-19)14(16)21/h2-6,18H,1H3,(H2,16,21).
What are the key properties of 5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 318.72 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 90110904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).