6-amino-3-[1-(3-pyrazol-1-ylphenyl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

C17H15N7O — CID 166885262

IUPAC6-amino-3-[1-(3-pyrazol-1-ylphenyl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESNc1nc2n[nH]c(C3(c4cccc(-n5cccn5)c4)CC3)c2c(=O)[nH]1
InChIInChI=1S/C17H15N7O/c18-16-20-14-12(15(25)21-16)13(22-23-14)17(5-6-17)10-3-1-4-11(9-10)24-8-2-7-19-24/h1-4,7-9H,5-6H2,(H4,18,20,21,22,23,25)
InChIKeyWZGPCLCLLVPVSJ-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.49
Rot. Bonds3

About 6-amino-3-[1-(3-pyrazol-1-ylphenyl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

6-amino-3-[1-(3-pyrazol-1-ylphenyl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 166885262) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is 6-amino-3-[1-(3-pyrazol-1-ylphenyl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-amino-3-[1-(3-pyrazol-1-ylphenyl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
PubChem CID166885262
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC Name6-amino-3-[1-(3-pyrazol-1-ylphenyl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESNc1nc2n[nH]c(C3(c4cccc(-n5cccn5)c4)CC3)c2c(=O)[nH]1
InChIInChI=1S/C17H15N7O/c18-16-20-14-12(15(25)21-16)13(22-23-14)17(5-6-17)10-3-1-4-11(9-10)24-8-2-7-19-24/h1-4,7-9H,5-6H2,(H4,18,20,21,22,23,25)
InChIKeyWZGPCLCLLVPVSJ-UHFFFAOYSA-N
XLogP1.49
TPSA118.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-amino-3-[1-(3-pyrazol-1-ylphenyl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(3-methylphenyl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 166523388
6-[(1S)-1-amino-6-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1-phenylcyclopropyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 166523217
7-(3-pyrazol-1-ylphenyl)bicyclo[4.1.0]heptan-7-ol
CID 79331682
1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole
CID 138572768
4-[1-[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl]cyclopropyl]benzonitrile
CID 166523435
1-methyl-4-phenyl-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 131938691
4-(aminomethyl)-1-(3-pyrazol-1-ylphenyl)pyrrolidin-2-one
CID 168661209
(3-pyrazol-1-ylphenyl)methanamine;hydrochloride
CID 52988138
(3-pyrazol-1-ylphenyl) acetate
CID 67940109
5-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]-1-azabicyclo[3.3.1]nonane
CID 67493631
(3-pyrazol-1-ylphenyl) 3-oxo-4H-1,4-benzoxazine-6-sulfonate
CID 99809745
3-oxo-3-(3-pyrazol-1-ylanilino)propanoic acid
CID 55049356

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[1-(3-pyrazol-1-ylphenyl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-amino-3-[1-(3-pyrazol-1-ylphenyl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 166885262) is 6-amino-3-[1-(3-pyrazol-1-ylphenyl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-amino-3-[1-(3-pyrazol-1-ylphenyl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-amino-3-[1-(3-pyrazol-1-ylphenyl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is Nc1nc2n[nH]c(C3(c4cccc(-n5cccn5)c4)CC3)c2c(=O)[nH]1.
What is the InChIKey of 6-amino-3-[1-(3-pyrazol-1-ylphenyl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is WZGPCLCLLVPVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O/c18-16-20-14-12(15(25)21-16)13(22-23-14)17(5-6-17)10-3-1-4-11(9-10)24-8-2-7-19-24/h1-4,7-9H,5-6H2,(H4,18,20,21,22,23,25).
What are the key properties of 6-amino-3-[1-(3-pyrazol-1-ylphenyl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
6-amino-3-[1-(3-pyrazol-1-ylphenyl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 333.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[1-(3-pyrazol-1-ylphenyl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 166885262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).