N-(2-chlorophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide

C15H14ClN5O2 — CID 16590379

IUPACN-(2-chlorophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
SMILESCn1ncc2c(=O)n(CCC(=O)Nc3ccccc3Cl)cnc21
InChIInChI=1S/C15H14ClN5O2/c1-20-14-10(8-18-20)15(23)21(9-17-14)7-6-13(22)19-12-5-3-2-4-11(12)16/h2-5,8-9H,6-7H2,1H3,(H,19,22)
InChIKeyBJBPDXKZLNHORL-UHFFFAOYSA-N
MW331.76 g/mol
LogP1.81
Rot. Bonds4

About N-(2-chlorophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide

N-(2-chlorophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide (PubChem CID 16590379) has the molecular formula C15H14ClN5O2 and a molecular weight of 331.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
PubChem CID16590379
Molecular FormulaC15H14ClN5O2
Molecular Weight331.76 g/mol
Exact Mass331.08
IUPAC NameN-(2-chlorophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
SMILESCn1ncc2c(=O)n(CCC(=O)Nc3ccccc3Cl)cnc21
InChIInChI=1S/C15H14ClN5O2/c1-20-14-10(8-18-20)15(23)21(9-17-14)7-6-13(22)19-12-5-3-2-4-11(12)16/h2-5,8-9H,6-7H2,1H3,(H,19,22)
InChIKeyBJBPDXKZLNHORL-UHFFFAOYSA-N
XLogP1.81
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-phenylpropanamide
CID 17492925
N-[2-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]phenyl]benzamide
CID 33147932
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 16595195
N-(3-acetamidophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16590618
N-(4-acetylphenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 25399169
N-(2,4-dichlorophenyl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882430
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide
CID 18134744
N-(3-chloro-2-methylphenyl)-3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882839
N-[4-methyl-3-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 46467529
N-[2-(azepan-1-yl)phenyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 38166568
methyl 4,5-dimethoxy-2-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]benzoate
CID 16593148
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propanamide
CID 46691307

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide (CID 16590379) is N-(2-chlorophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide is Cn1ncc2c(=O)n(CCC(=O)Nc3ccccc3Cl)cnc21.
What is the InChIKey of N-(2-chlorophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
The InChIKey is BJBPDXKZLNHORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O2/c1-20-14-10(8-18-20)15(23)21(9-17-14)7-6-13(22)19-12-5-3-2-4-11(12)16/h2-5,8-9H,6-7H2,1H3,(H,19,22).
What are the key properties of N-(2-chlorophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
N-(2-chlorophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide has a molecular weight of 331.76 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide is sourced from PubChem (CID 16590379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).