2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide

C15H14ClN5O2 — CID 648379

IUPAC2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O
InChIInChI=1S/C15H14ClN5O2/c1-19(2)13(22)8-20-9-17-14-10(15(20)23)7-18-21(14)12-6-4-3-5-11(12)16/h3-7,9H,8H2,1-2H3
InChIKeyPCQXJPLXNVPEOM-UHFFFAOYSA-N
MW331.76 g/mol
LogP1.32
Rot. Bonds3

About 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide

2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide (PubChem CID 648379) has the molecular formula C15H14ClN5O2 and a molecular weight of 331.76 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide
PubChem CID648379
Molecular FormulaC15H14ClN5O2
Molecular Weight331.76 g/mol
Exact Mass331.08
IUPAC Name2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O
InChIInChI=1S/C15H14ClN5O2/c1-19(2)13(22)8-20-9-17-14-10(15(20)23)7-18-21(14)12-6-4-3-5-11(12)16/h3-7,9H,8H2,1-2H3
InChIKeyPCQXJPLXNVPEOM-UHFFFAOYSA-N
XLogP1.32
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide (CID 648379) is 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O.
What is the InChIKey of 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide?
The InChIKey is PCQXJPLXNVPEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O2/c1-19(2)13(22)8-20-9-17-14-10(15(20)23)7-18-21(14)12-6-4-3-5-11(12)16/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide?
2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide has a molecular weight of 331.76 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 648379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).