2-(dimethylamino)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide

C20H27FN4O — CID 72856503

IUPAC2-(dimethylamino)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide
SMILESCc1cc(C)n(CC2(CNC(=O)C(c3ccc(F)cc3)N(C)C)CC2)n1
InChIInChI=1S/C20H27FN4O/c1-14-11-15(2)25(23-14)13-20(9-10-20)12-22-19(26)18(24(3)4)16-5-7-17(21)8-6-16/h5-8,11,18H,9-10,12-13H2,1-4H3,(H,22,26)
InChIKeyZRSKMIDKHYTQAD-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.84
Rot. Bonds7

About 2-(dimethylamino)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide

2-(dimethylamino)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide (PubChem CID 72856503) has the molecular formula C20H27FN4O and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide
PubChem CID72856503
Molecular FormulaC20H27FN4O
Molecular Weight358.46 g/mol
Exact Mass358.22
IUPAC Name2-(dimethylamino)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide
SMILESCc1cc(C)n(CC2(CNC(=O)C(c3ccc(F)cc3)N(C)C)CC2)n1
InChIInChI=1S/C20H27FN4O/c1-14-11-15(2)25(23-14)13-20(9-10-20)12-22-19(26)18(24(3)4)16-5-7-17(21)8-6-16/h5-8,11,18H,9-10,12-13H2,1-4H3,(H,22,26)
InChIKeyZRSKMIDKHYTQAD-UHFFFAOYSA-N
XLogP2.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide (CID 72856503) is 2-(dimethylamino)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide is Cc1cc(C)n(CC2(CNC(=O)C(c3ccc(F)cc3)N(C)C)CC2)n1.
What is the InChIKey of 2-(dimethylamino)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is ZRSKMIDKHYTQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O/c1-14-11-15(2)25(23-14)13-20(9-10-20)12-22-19(26)18(24(3)4)16-5-7-17(21)8-6-16/h5-8,11,18H,9-10,12-13H2,1-4H3,(H,22,26).
What are the key properties of 2-(dimethylamino)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide?
2-(dimethylamino)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 358.46 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 72856503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).