N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-fluorophenyl)pyrimidin-4-amine

C16H14FN5 — CID 70683296

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-fluorophenyl)pyrimidin-4-amine
SMILESFc1ccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1
InChIInChI=1S/C16H14FN5/c17-12-5-3-11(4-6-12)16-18-8-7-14(20-16)19-15-9-13(21-22-15)10-1-2-10/h3-10H,1-2H2,(H2,18,19,20,21,22)
InChIKeyHNXZOWROIBLYSK-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.63
Rot. Bonds4

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-fluorophenyl)pyrimidin-4-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-fluorophenyl)pyrimidin-4-amine (PubChem CID 70683296) has the molecular formula C16H14FN5 and a molecular weight of 295.32 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-fluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-fluorophenyl)pyrimidin-4-amine
PubChem CID70683296
Molecular FormulaC16H14FN5
Molecular Weight295.32 g/mol
Exact Mass295.12
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-fluorophenyl)pyrimidin-4-amine
SMILESFc1ccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1
InChIInChI=1S/C16H14FN5/c17-12-5-3-11(4-6-12)16-18-8-7-14(20-16)19-15-9-13(21-22-15)10-1-2-10/h3-10H,1-2H2,(H2,18,19,20,21,22)
InChIKeyHNXZOWROIBLYSK-UHFFFAOYSA-N
XLogP3.63
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-fluorophenyl)pyrimidin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-fluorophenyl)pyrimidin-4-amine (CID 70683296) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-fluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-fluorophenyl)pyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-fluorophenyl)pyrimidin-4-amine is Fc1ccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-fluorophenyl)pyrimidin-4-amine?
The InChIKey is HNXZOWROIBLYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5/c17-12-5-3-11(4-6-12)16-18-8-7-14(20-16)19-15-9-13(21-22-15)10-1-2-10/h3-10H,1-2H2,(H2,18,19,20,21,22).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-fluorophenyl)pyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-fluorophenyl)pyrimidin-4-amine has a molecular weight of 295.32 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-fluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 70683296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).