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

C19H20ClN5O2 — CID 5310010

IUPAC2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-cyclohexylacetamide
SMILESO=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)NC1CCCCC1
InChIInChI=1S/C19H20ClN5O2/c20-13-6-8-15(9-7-13)25-18-16(10-22-25)19(27)24(12-21-18)11-17(26)23-14-4-2-1-3-5-14/h6-10,12,14H,1-5,11H2,(H,23,26)
InChIKeyWPVHOORCVJFQNP-UHFFFAOYSA-N
MW385.86 g/mol
LogP2.68
Rot. Bonds4

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

2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-cyclohexylacetamide (PubChem CID 5310010) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-cyclohexylacetamide
PubChem CID5310010
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC Name2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-cyclohexylacetamide
SMILESO=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)NC1CCCCC1
InChIInChI=1S/C19H20ClN5O2/c20-13-6-8-15(9-7-13)25-18-16(10-22-25)19(27)24(12-21-18)11-17(26)23-14-4-2-1-3-5-14/h6-10,12,14H,1-5,11H2,(H,23,26)
InChIKeyWPVHOORCVJFQNP-UHFFFAOYSA-N
XLogP2.68
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Bay 73-6691
CID 135541419
5-amino-1-(3-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 2578228
1,5-dihydro-1-phenyl-4H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135408735
BAY 73-6691 racemate
CID 135495130
3-(4-chloroanilino)-1-[(1S,2S,4S)-2-cyano-4-(dimethylamino)cyclohexyl]pyrazole-4-carboxamide
CID 90367281
1-(2-Chlorophenyl)-1,5-dihydro-6-((2S)-3,3,3-trifluoro-2-methylpropyl)-4H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135566505
N-(2-Methoxy-ethyl)-2-(4-oxo-1-p-tolyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetamide
CID 3227789
5-(4-Chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-one
CID 2275223
N-(4-acetamidophenyl)-2-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetamide
CID 3242942
3-(4-chloroanilino)-1-[(1S,2S,4S)-2-cyano-4-(methylamino)cyclohexyl]pyrazole-4-carboxamide
CID 89471121
3-(4-chloroanilino)-1-[(1S,2S)-2-cyanocyclohexyl]pyrazole-4-carboxamide
CID 90367222
1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 135465285

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-cyclohexylacetamide (CID 5310010) is 2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-cyclohexylacetamide is O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)NC1CCCCC1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-cyclohexylacetamide?
The InChIKey is WPVHOORCVJFQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c20-13-6-8-15(9-7-13)25-18-16(10-22-25)19(27)24(12-21-18)11-17(26)23-14-4-2-1-3-5-14/h6-10,12,14H,1-5,11H2,(H,23,26).
What are the key properties of 2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-cyclohexylacetamide?
2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-cyclohexylacetamide has a molecular weight of 385.86 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 5310010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).