N-(1-adamantylmethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide

C20H26F3N3O — CID 4916079

IUPACN-(1-adamantylmethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H26F3N3O/c21-20(22,23)18-15-2-1-3-16(15)26(25-18)10-17(27)24-11-19-7-12-4-13(8-19)6-14(5-12)9-19/h12-14H,1-11H2,(H,24,27)
InChIKeyNZXWMFJPFBYRMP-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.72
Rot. Bonds4

About N-(1-adamantylmethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide

N-(1-adamantylmethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (PubChem CID 4916079) has the molecular formula C20H26F3N3O and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
PubChem CID4916079
Molecular FormulaC20H26F3N3O
Molecular Weight381.44 g/mol
Exact Mass381.20
IUPAC NameN-(1-adamantylmethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H26F3N3O/c21-20(22,23)18-15-2-1-3-16(15)26(25-18)10-17(27)24-11-19-7-12-4-13(8-19)6-14(5-12)9-19/h12-14H,1-11H2,(H,24,27)
InChIKeyNZXWMFJPFBYRMP-UHFFFAOYSA-N
XLogP3.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (CID 4916079) is N-(1-adamantylmethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The InChIKey is NZXWMFJPFBYRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O/c21-20(22,23)18-15-2-1-3-16(15)26(25-18)10-17(27)24-11-19-7-12-4-13(8-19)6-14(5-12)9-19/h12-14H,1-11H2,(H,24,27).
What are the key properties of N-(1-adamantylmethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
N-(1-adamantylmethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide has a molecular weight of 381.44 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is sourced from PubChem (CID 4916079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).