6-chloro-N-[2-(2-chlorophenyl)ethyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H14Cl2N4O2 — CID 5130856

IUPAC6-chloro-N-[2-(2-chlorophenyl)ethyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCCc3ccccc3Cl)c[nH]n2c(=O)c1Cl
InChIInChI=1S/C16H14Cl2N4O2/c1-9-13(18)16(24)22-14(21-9)11(8-20-22)15(23)19-7-6-10-4-2-3-5-12(10)17/h2-5,8,20H,6-7H2,1H3,(H,19,23)
InChIKeyHRNZDOZOPWNTIU-UHFFFAOYSA-N
MW365.22 g/mol
LogP2.61
Rot. Bonds4

About 6-chloro-N-[2-(2-chlorophenyl)ethyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-chloro-N-[2-(2-chlorophenyl)ethyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 5130856) has the molecular formula C16H14Cl2N4O2 and a molecular weight of 365.22 g/mol. Its IUPAC name is 6-chloro-N-[2-(2-chlorophenyl)ethyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(2-chlorophenyl)ethyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID5130856
Molecular FormulaC16H14Cl2N4O2
Molecular Weight365.22 g/mol
Exact Mass364.05
IUPAC Name6-chloro-N-[2-(2-chlorophenyl)ethyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCCc3ccccc3Cl)c[nH]n2c(=O)c1Cl
InChIInChI=1S/C16H14Cl2N4O2/c1-9-13(18)16(24)22-14(21-9)11(8-20-22)15(23)19-7-6-10-4-2-3-5-12(10)17/h2-5,8,20H,6-7H2,1H3,(H,19,23)
InChIKeyHRNZDOZOPWNTIU-UHFFFAOYSA-N
XLogP2.61
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(2-chlorophenyl)ethyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-(2-chlorophenyl)ethyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 5130856) is 6-chloro-N-[2-(2-chlorophenyl)ethyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(2-chlorophenyl)ethyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(2-chlorophenyl)ethyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)NCCc3ccccc3Cl)c[nH]n2c(=O)c1Cl.
What is the InChIKey of 6-chloro-N-[2-(2-chlorophenyl)ethyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HRNZDOZOPWNTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O2/c1-9-13(18)16(24)22-14(21-9)11(8-20-22)15(23)19-7-6-10-4-2-3-5-12(10)17/h2-5,8,20H,6-7H2,1H3,(H,19,23).
What are the key properties of 6-chloro-N-[2-(2-chlorophenyl)ethyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-chloro-N-[2-(2-chlorophenyl)ethyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 365.22 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(2-chlorophenyl)ethyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 5130856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).