6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-amine

C12H9FN4 — CID 115036557

IUPAC6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-amine
SMILESNc1cnn2cc(-c3ccc(F)cc3)cnc12
InChIInChI=1S/C12H9FN4/c13-10-3-1-8(2-4-10)9-5-15-12-11(14)6-16-17(12)7-9/h1-7H,14H2
InChIKeyAZQQWEHBRXTHBQ-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.12
Rot. Bonds1

About 6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-amine

6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-amine (PubChem CID 115036557) has the molecular formula C12H9FN4 and a molecular weight of 228.23 g/mol. Its IUPAC name is 6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-amine
PubChem CID115036557
Molecular FormulaC12H9FN4
Molecular Weight228.23 g/mol
Exact Mass228.08
IUPAC Name6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-amine
SMILESNc1cnn2cc(-c3ccc(F)cc3)cnc12
InChIInChI=1S/C12H9FN4/c13-10-3-1-8(2-4-10)9-5-15-12-11(14)6-16-17(12)7-9/h1-7H,14H2
InChIKeyAZQQWEHBRXTHBQ-UHFFFAOYSA-N
XLogP2.12
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)aniline
CID 71743370
6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine
CID 59277764
6-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine
CID 155437096
1-(2-aminoethyl)-3-[3-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]urea
CID 59320954
5-(4-fluorophenyl)pyridin-2-amine
CID 22504802
5-(4-fluorophenyl)-1-methylpyrazol-4-amine
CID 28803587
5-(3-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-chloro-N-(1-cyanocyclopropyl)benzamide
CID 167874176
2-methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-amine
CID 115042613
3,8-bis(4-fluorophenyl)-1,10-phenanthroline;rhenium
CID 59104701
1-ethyl-3-[3-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-6-methyl-7-methylidenecyclohepta-1,3,5-trien-1-yl]urea
CID 143706951
(2S)-1-[4-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine
CID 90069330
6-(4-fluorophenyl)-3-iodopyrazolo[1,5-a]pyrimidine;N-[3-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine
CID 158000224

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-amine?
The IUPAC name of 6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-amine (CID 115036557) is 6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-amine.
What is the SMILES notation for 6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-amine?
The canonical SMILES for 6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-amine is Nc1cnn2cc(-c3ccc(F)cc3)cnc12.
What is the InChIKey of 6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-amine?
The InChIKey is AZQQWEHBRXTHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4/c13-10-3-1-8(2-4-10)9-5-15-12-11(14)6-16-17(12)7-9/h1-7H,14H2.
What are the key properties of 6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-amine?
6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-amine has a molecular weight of 228.23 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-amine is sourced from PubChem (CID 115036557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).