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

C20H22FN5O — CID 90465258

IUPACN-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nccc(-c2cn(C(C)C)nc2-c2ccc(F)cc2)n1
InChIInChI=1S/C20H22FN5O/c1-12(2)19(27)24-20-22-10-9-17(23-20)16-11-26(13(3)4)25-18(16)14-5-7-15(21)8-6-14/h5-13H,1-4H3,(H,22,23,24,27)
InChIKeyJKAACOMDHGXCCA-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.32
Rot. Bonds5

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

N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]-2-methylpropanamide (PubChem CID 90465258) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]-2-methylpropanamide
PubChem CID90465258
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC NameN-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nccc(-c2cn(C(C)C)nc2-c2ccc(F)cc2)n1
InChIInChI=1S/C20H22FN5O/c1-12(2)19(27)24-20-22-10-9-17(23-20)16-11-26(13(3)4)25-18(16)14-5-7-15(21)8-6-14/h5-13H,1-4H3,(H,22,23,24,27)
InChIKeyJKAACOMDHGXCCA-UHFFFAOYSA-N
XLogP4.32
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]-2-methylpropanamide?
The IUPAC name of N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]-2-methylpropanamide (CID 90465258) is N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nccc(-c2cn(C(C)C)nc2-c2ccc(F)cc2)n1.
What is the InChIKey of N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]-2-methylpropanamide?
The InChIKey is JKAACOMDHGXCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-12(2)19(27)24-20-22-10-9-17(23-20)16-11-26(13(3)4)25-18(16)14-5-7-15(21)8-6-14/h5-13H,1-4H3,(H,22,23,24,27).
What are the key properties of N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]-2-methylpropanamide?
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]-2-methylpropanamide has a molecular weight of 367.43 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 90465258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).