6-[1-(4-chlorophenyl)ethylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C16H18ClN5O — CID 136969910

IUPAC6-[1-(4-chlorophenyl)ethylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(Nc1nc2c(cnn2C(C)C)c(=O)[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN5O/c1-9(2)22-14-13(8-18-22)15(23)21-16(20-14)19-10(3)11-4-6-12(17)7-5-11/h4-10H,1-3H3,(H2,19,20,21,23)
InChIKeyXUVPYIZNPZAOSX-UHFFFAOYSA-N
MW331.81 g/mol
LogP3.53
Rot. Bonds4

About 6-[1-(4-chlorophenyl)ethylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[1-(4-chlorophenyl)ethylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136969910) has the molecular formula C16H18ClN5O and a molecular weight of 331.81 g/mol. Its IUPAC name is 6-[1-(4-chlorophenyl)ethylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[1-(4-chlorophenyl)ethylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136969910
Molecular FormulaC16H18ClN5O
Molecular Weight331.81 g/mol
Exact Mass331.12
IUPAC Name6-[1-(4-chlorophenyl)ethylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(Nc1nc2c(cnn2C(C)C)c(=O)[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN5O/c1-9(2)22-14-13(8-18-22)15(23)21-16(20-14)19-10(3)11-4-6-12(17)7-5-11/h4-10H,1-3H3,(H2,19,20,21,23)
InChIKeyXUVPYIZNPZAOSX-UHFFFAOYSA-N
XLogP3.53
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-Benzyl-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
CID 135566500
6-[(3s,4s)-1-Benzyl-4-Methylpyrrolidin-3-Yl]-1-(1-Methylethyl)-1,5-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One
CID 135566501
6-{[(1r)-1-(4-Chlorophenyl)ethyl]amino}-1-Cyclopentyl-1,5-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One
CID 136969934
1-tert-butyl-6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-5-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 154699442
6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135567004
5-benzyl-6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
CID 156013087
1-Tert-butyl-5-[(3-chlorophenyl)methyl]-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 16193594
N-[(4-chlorophenyl)methyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44231907
7-(3,4-dichlorophenyl)-5-methyl-N-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135433132
CID 135443450
CID 135443450
CID 135532763
CID 135532763
CID 135532777
CID 135532777

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-chlorophenyl)ethylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[1-(4-chlorophenyl)ethylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136969910) is 6-[1-(4-chlorophenyl)ethylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[1-(4-chlorophenyl)ethylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[1-(4-chlorophenyl)ethylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(Nc1nc2c(cnn2C(C)C)c(=O)[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of 6-[1-(4-chlorophenyl)ethylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is XUVPYIZNPZAOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O/c1-9(2)22-14-13(8-18-22)15(23)21-16(20-14)19-10(3)11-4-6-12(17)7-5-11/h4-10H,1-3H3,(H2,19,20,21,23).
What are the key properties of 6-[1-(4-chlorophenyl)ethylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[1-(4-chlorophenyl)ethylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 331.81 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-chlorophenyl)ethylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136969910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).