5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C16H13FN6 — CID 56896235

IUPAC5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFc1ccccc1-c1cc(NCc2ncc[nH]2)n2nccc2n1
InChIInChI=1S/C16H13FN6/c17-12-4-2-1-3-11(12)13-9-16(20-10-14-18-7-8-19-14)23-15(22-13)5-6-21-23/h1-9,20H,10H2,(H,18,19)
InChIKeyQRZRAPTZHNAQPQ-UHFFFAOYSA-N
MW308.32 g/mol
LogP2.87
Rot. Bonds4

About 5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56896235) has the molecular formula C16H13FN6 and a molecular weight of 308.32 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56896235
Molecular FormulaC16H13FN6
Molecular Weight308.32 g/mol
Exact Mass308.12
IUPAC Name5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFc1ccccc1-c1cc(NCc2ncc[nH]2)n2nccc2n1
InChIInChI=1S/C16H13FN6/c17-12-4-2-1-3-11(12)13-9-16(20-10-14-18-7-8-19-14)23-15(22-13)5-6-21-23/h1-9,20H,10H2,(H,18,19)
InChIKeyQRZRAPTZHNAQPQ-UHFFFAOYSA-N
XLogP2.87
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56889061
5-(2-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56887594
5-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56890855
5-(2-fluorophenyl)-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56909518
5-(2-fluorophenyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56904649
N-[(1,1-dioxothiolan-3-yl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56890807
N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 95895615
5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 154893939
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56883490
N-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 133126009
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70787447
5-(2-fluorophenyl)-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70737591

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 56896235) is 5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Fc1ccccc1-c1cc(NCc2ncc[nH]2)n2nccc2n1.
What is the InChIKey of 5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QRZRAPTZHNAQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6/c17-12-4-2-1-3-11(12)13-9-16(20-10-14-18-7-8-19-14)23-15(22-13)5-6-21-23/h1-9,20H,10H2,(H,18,19).
What are the key properties of 5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 308.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56896235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).