N-ethyl-4-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-2-amine

C15H14FN5 — CID 46996104

IUPACN-ethyl-4-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCCNc1nccc(-c2cnn(-c3ccccc3F)c2)n1
InChIInChI=1S/C15H14FN5/c1-2-17-15-18-8-7-13(20-15)11-9-19-21(10-11)14-6-4-3-5-12(14)16/h3-10H,2H2,1H3,(H,17,18,20)
InChIKeyKCILEZSMIOTKGO-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.90
Rot. Bonds4

About N-ethyl-4-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-2-amine

N-ethyl-4-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 46996104) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is N-ethyl-4-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-2-amine
PubChem CID46996104
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC NameN-ethyl-4-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCCNc1nccc(-c2cnn(-c3ccccc3F)c2)n1
InChIInChI=1S/C15H14FN5/c1-2-17-15-18-8-7-13(20-15)11-9-19-21(10-11)14-6-4-3-5-12(14)16/h3-10H,2H2,1H3,(H,17,18,20)
InChIKeyKCILEZSMIOTKGO-UHFFFAOYSA-N
XLogP2.90
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-2-amine (CID 46996104) is N-ethyl-4-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-2-amine is CCNc1nccc(-c2cnn(-c3ccccc3F)c2)n1.
What is the InChIKey of N-ethyl-4-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is KCILEZSMIOTKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c1-2-17-15-18-8-7-13(20-15)11-9-19-21(10-11)14-6-4-3-5-12(14)16/h3-10H,2H2,1H3,(H,17,18,20).
What are the key properties of N-ethyl-4-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-2-amine?
N-ethyl-4-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 283.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 46996104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).