4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-amine

C16H16FN5 — CID 67073877

IUPAC4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-amine
SMILESCC(C)n1cc(-c2ccnc(N)n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H16FN5/c1-10(2)22-9-13(14-7-8-19-16(18)20-14)15(21-22)11-3-5-12(17)6-4-11/h3-10H,1-2H3,(H2,18,19,20)
InChIKeyNCFSEZROUZRRNH-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.31
Rot. Bonds3

About 4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-amine

4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-amine (PubChem CID 67073877) has the molecular formula C16H16FN5 and a molecular weight of 297.34 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-amine
PubChem CID67073877
Molecular FormulaC16H16FN5
Molecular Weight297.34 g/mol
Exact Mass297.14
IUPAC Name4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-amine
SMILESCC(C)n1cc(-c2ccnc(N)n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H16FN5/c1-10(2)22-9-13(14-7-8-19-16(18)20-14)15(21-22)11-3-5-12(17)6-4-11/h3-10H,1-2H3,(H2,18,19,20)
InChIKeyNCFSEZROUZRRNH-UHFFFAOYSA-N
XLogP3.31
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-amine (CID 67073877) is 4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-amine is CC(C)n1cc(-c2ccnc(N)n2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is NCFSEZROUZRRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5/c1-10(2)22-9-13(14-7-8-19-16(18)20-14)15(21-22)11-3-5-12(17)6-4-11/h3-10H,1-2H3,(H2,18,19,20).
What are the key properties of 4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-amine?
4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 297.34 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 67073877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).