3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide

C22H25FN4O — CID 68753054

IUPAC3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide
SMILESCc1cnc2c(-c3ccc(F)c(C)c3)c(NC(=O)CCC3CCCC3)nn2c1
InChIInChI=1S/C22H25FN4O/c1-14-12-24-22-20(17-8-9-18(23)15(2)11-17)21(26-27(22)13-14)25-19(28)10-7-16-5-3-4-6-16/h8-9,11-13,16H,3-7,10H2,1-2H3,(H,25,26,28)
InChIKeyYNEXBYFWIMKZGV-UHFFFAOYSA-N
MW380.47 g/mol
LogP5.06
Rot. Bonds5

About 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide

3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide (PubChem CID 68753054) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide
PubChem CID68753054
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide
SMILESCc1cnc2c(-c3ccc(F)c(C)c3)c(NC(=O)CCC3CCCC3)nn2c1
InChIInChI=1S/C22H25FN4O/c1-14-12-24-22-20(17-8-9-18(23)15(2)11-17)21(26-27(22)13-14)25-19(28)10-7-16-5-3-4-6-16/h8-9,11-13,16H,3-7,10H2,1-2H3,(H,25,26,28)
InChIKeyYNEXBYFWIMKZGV-UHFFFAOYSA-N
XLogP5.06
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.47
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide (CID 68753054) is 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide is Cc1cnc2c(-c3ccc(F)c(C)c3)c(NC(=O)CCC3CCCC3)nn2c1.
What is the InChIKey of 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide?
The InChIKey is YNEXBYFWIMKZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-14-12-24-22-20(17-8-9-18(23)15(2)11-17)21(26-27(22)13-14)25-19(28)10-7-16-5-3-4-6-16/h8-9,11-13,16H,3-7,10H2,1-2H3,(H,25,26,28).
What are the key properties of 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide?
3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide has a molecular weight of 380.47 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide is sourced from PubChem (CID 68753054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).