2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-N-[(2R)-3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl]acetamide

C18H25F2N5O — CID 51853081

IUPAC2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-N-[(2R)-3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl]acetamide
SMILESCC(C)(C)[C@H](Cn1cccn1)NC(=O)Cn1nc(C(F)F)c2c1CCC2
InChIInChI=1S/C18H25F2N5O/c1-18(2,3)14(10-24-9-5-8-21-24)22-15(26)11-25-13-7-4-6-12(13)16(23-25)17(19)20/h5,8-9,14,17H,4,6-7,10-11H2,1-3H3,(H,22,26)/t14-/m0/s1
InChIKeyMSWGIJZFXBSFPY-AWEZNQCLSA-N
MW365.43 g/mol
LogP2.74
Rot. Bonds6

About 2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-N-[(2R)-3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl]acetamide

2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-N-[(2R)-3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl]acetamide (PubChem CID 51853081) has the molecular formula C18H25F2N5O and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-N-[(2R)-3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-N-[(2R)-3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl]acetamide
PubChem CID51853081
Molecular FormulaC18H25F2N5O
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC Name2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-N-[(2R)-3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl]acetamide
SMILESCC(C)(C)[C@H](Cn1cccn1)NC(=O)Cn1nc(C(F)F)c2c1CCC2
InChIInChI=1S/C18H25F2N5O/c1-18(2,3)14(10-24-9-5-8-21-24)22-15(26)11-25-13-7-4-6-12(13)16(23-25)17(19)20/h5,8-9,14,17H,4,6-7,10-11H2,1-3H3,(H,22,26)/t14-/m0/s1
InChIKeyMSWGIJZFXBSFPY-AWEZNQCLSA-N
XLogP2.74
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-N-[(2R)-3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl]acetamide?
The IUPAC name of 2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-N-[(2R)-3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl]acetamide (CID 51853081) is 2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-N-[(2R)-3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-N-[(2R)-3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl]acetamide?
The canonical SMILES for 2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-N-[(2R)-3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl]acetamide is CC(C)(C)[C@H](Cn1cccn1)NC(=O)Cn1nc(C(F)F)c2c1CCC2.
What is the InChIKey of 2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-N-[(2R)-3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl]acetamide?
The InChIKey is MSWGIJZFXBSFPY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25F2N5O/c1-18(2,3)14(10-24-9-5-8-21-24)22-15(26)11-25-13-7-4-6-12(13)16(23-25)17(19)20/h5,8-9,14,17H,4,6-7,10-11H2,1-3H3,(H,22,26)/t14-/m0/s1.
What are the key properties of 2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-N-[(2R)-3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl]acetamide?
2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-N-[(2R)-3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl]acetamide has a molecular weight of 365.43 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-N-[(2R)-3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl]acetamide is sourced from PubChem (CID 51853081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).