N-[3-(3-fluorophenyl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C14H14FN5 — CID 133295919

IUPACN-[3-(3-fluorophenyl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFc1cccc(CCCNc2ncnc3[nH]ncc23)c1
InChIInChI=1S/C14H14FN5/c15-11-5-1-3-10(7-11)4-2-6-16-13-12-8-19-20-14(12)18-9-17-13/h1,3,5,7-9H,2,4,6H2,(H2,16,17,18,19,20)
InChIKeyKPQFVNVYZFDHAM-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.54
Rot. Bonds5

About N-[3-(3-fluorophenyl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[3-(3-fluorophenyl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 133295919) has the molecular formula C14H14FN5 and a molecular weight of 271.30 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID133295919
Molecular FormulaC14H14FN5
Molecular Weight271.30 g/mol
Exact Mass271.12
IUPAC NameN-[3-(3-fluorophenyl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFc1cccc(CCCNc2ncnc3[nH]ncc23)c1
InChIInChI=1S/C14H14FN5/c15-11-5-1-3-10(7-11)4-2-6-16-13-12-8-19-20-14(12)18-9-17-13/h1,3,5,7-9H,2,4,6H2,(H2,16,17,18,19,20)
InChIKeyKPQFVNVYZFDHAM-UHFFFAOYSA-N
XLogP2.54
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(3-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11646096
N-(2-fluoroethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 131102033
4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine
CID 64590268
N-(3-methylsulfanylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133305074
6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine
CID 25175672
5-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanenitrile
CID 133299897
N-[3-(3-fluorophenyl)propyl]aniline
CID 90949937
6-[3-(3-fluorophenyl)propylamino]pyridine-3-carbonitrile
CID 133294986
N-(2,4-difluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 42226838
1-(4-phenylbutyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea
CID 13011931
N-(2-cyclopropylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133324202
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 18277477

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[3-(3-fluorophenyl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 133295919) is N-[3-(3-fluorophenyl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-(3-fluorophenyl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-(3-fluorophenyl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Fc1cccc(CCCNc2ncnc3[nH]ncc23)c1.
What is the InChIKey of N-[3-(3-fluorophenyl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is KPQFVNVYZFDHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5/c15-11-5-1-3-10(7-11)4-2-6-16-13-12-8-19-20-14(12)18-9-17-13/h1,3,5,7-9H,2,4,6H2,(H2,16,17,18,19,20).
What are the key properties of N-[3-(3-fluorophenyl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[3-(3-fluorophenyl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 271.30 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133295919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).