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

C15H12Cl2N4O2 — CID 5130855

IUPAC6-chloro-N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCc3ccccc3Cl)c[nH]n2c(=O)c1Cl
InChIInChI=1S/C15H12Cl2N4O2/c1-8-12(17)15(23)21-13(20-8)10(7-19-21)14(22)18-6-9-4-2-3-5-11(9)16/h2-5,7,19H,6H2,1H3,(H,18,22)
InChIKeyFCTGMCMKHRMKDN-UHFFFAOYSA-N
MW351.19 g/mol
LogP2.57
Rot. Bonds3

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

6-chloro-N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 5130855) has the molecular formula C15H12Cl2N4O2 and a molecular weight of 351.19 g/mol. Its IUPAC name is 6-chloro-N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID5130855
Molecular FormulaC15H12Cl2N4O2
Molecular Weight351.19 g/mol
Exact Mass350.03
IUPAC Name6-chloro-N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCc3ccccc3Cl)c[nH]n2c(=O)c1Cl
InChIInChI=1S/C15H12Cl2N4O2/c1-8-12(17)15(23)21-13(20-8)10(7-19-21)14(22)18-6-9-4-2-3-5-11(9)16/h2-5,7,19H,6H2,1H3,(H,18,22)
InChIKeyFCTGMCMKHRMKDN-UHFFFAOYSA-N
XLogP2.57
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 52.57
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-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 5130855) is 6-chloro-N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)NCc3ccccc3Cl)c[nH]n2c(=O)c1Cl.
What is the InChIKey of 6-chloro-N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FCTGMCMKHRMKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O2/c1-8-12(17)15(23)21-13(20-8)10(7-19-21)14(22)18-6-9-4-2-3-5-11(9)16/h2-5,7,19H,6H2,1H3,(H,18,22).
What are the key properties of 6-chloro-N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-chloro-N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 351.19 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 5130855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).