3-[2-[(2R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2,2-difluoroethyl)propanamide

About 3-[2-[(2R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2,2-difluoroethyl)propanamide

3-[2-[(2R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2,2-difluoroethyl)propanamide (PubChem CID 95811585) has the molecular formula C24H33F2N5O and a molecular weight of 445.56 g/mol. Its IUPAC name is 3-[2-[(2R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2,2-difluoroethyl)propanamide.

Molecular Properties

Compound Name	3-[2-[(2R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2,2-difluoroethyl)propanamide
PubChem CID	95811585
Molecular Formula	C24H33F2N5O
Molecular Weight	445.56 g/mol
Exact Mass	445.27
IUPAC Name	3-[2-[(2R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2,2-difluoroethyl)propanamide
SMILES	Cc1nc2cc([C@H]3CCCN3C[C@H]3CC=CCC3)nn2c(C)c1CCC(=O)NCC(F)F
InChI	InChI=1S/C24H33F2N5O/c1-16-19(10-11-24(32)27-14-22(25)26)17(2)31-23(28-16)13-20(29-31)21-9-6-12-30(21)15-18-7-4-3-5-8-18/h3-4,13,18,21-22H,5-12,14-15H2,1-2H3,(H,27,32)/t18-,21+/m0/s1
InChIKey	UDYHQPIBEFZRHE-GHTZIAJQSA-N
XLogP	4.15
TPSA	62.53 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	8
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.56
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2,2-difluoroethyl)propanamide?

The IUPAC name of 3-[2-[(2R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2,2-difluoroethyl)propanamide (CID 95811585) is 3-[2-[(2R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2,2-difluoroethyl)propanamide.

What is the SMILES notation for 3-[2-[(2R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2,2-difluoroethyl)propanamide?

The canonical SMILES for 3-[2-[(2R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2,2-difluoroethyl)propanamide is Cc1nc2cc([C@H]3CCCN3C[C@H]3CC=CCC3)nn2c(C)c1CCC(=O)NCC(F)F.

What is the InChIKey of 3-[2-[(2R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2,2-difluoroethyl)propanamide?

The InChIKey is UDYHQPIBEFZRHE-GHTZIAJQSA-N. The full InChI is InChI=1S/C24H33F2N5O/c1-16-19(10-11-24(32)27-14-22(25)26)17(2)31-23(28-16)13-20(29-31)21-9-6-12-30(21)15-18-7-4-3-5-8-18/h3-4,13,18,21-22H,5-12,14-15H2,1-2H3,(H,27,32)/t18-,21+/m0/s1.

What are the key properties of 3-[2-[(2R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2,2-difluoroethyl)propanamide?

3-[2-[(2R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2,2-difluoroethyl)propanamide has a molecular weight of 445.56 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[(2R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2,2-difluoroethyl)propanamide is sourced from PubChem (CID 95811585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).