(2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide

C18H25FN4O — CID 97207810

IUPAC(2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
SMILESCN(C)[C@@H](C(=O)NCc1cc(C(C)(C)C)n[nH]1)c1ccc(F)cc1
InChIInChI=1S/C18H25FN4O/c1-18(2,3)15-10-14(21-22-15)11-20-17(24)16(23(4)5)12-6-8-13(19)9-7-12/h6-10,16H,11H2,1-5H3,(H,20,24)(H,21,22)/t16-/m1/s1
InChIKeyHWKWHNAQOKHHMU-MRXNPFEDSA-N
MW332.42 g/mol
LogP2.77
Rot. Bonds5

About (2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide

(2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide (PubChem CID 97207810) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is (2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name(2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
PubChem CID97207810
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name(2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
SMILESCN(C)[C@@H](C(=O)NCc1cc(C(C)(C)C)n[nH]1)c1ccc(F)cc1
InChIInChI=1S/C18H25FN4O/c1-18(2,3)15-10-14(21-22-15)11-20-17(24)16(23(4)5)12-6-8-13(19)9-7-12/h6-10,16H,11H2,1-5H3,(H,20,24)(H,21,22)/t16-/m1/s1
InChIKeyHWKWHNAQOKHHMU-MRXNPFEDSA-N
XLogP2.77
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-2-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 72839369
2-[3-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]propanoylamino]acetic acid
CID 72842259
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]acetamide
CID 97207538
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 72870160
2-(dimethylamino)-2-(4-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 50956198
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]acetamide
CID 97203341
2-(dimethylamino)-N-[(2,6-dimethyl-4-pyridinyl)methyl]-2-(4-methylphenyl)acetamide
CID 72873453
3-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]propanoic acid
CID 120586281
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172657525
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 118793968
(2S)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 97189861
2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
CID 72886848

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide?
The IUPAC name of (2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide (CID 97207810) is (2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for (2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for (2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide is CN(C)[C@@H](C(=O)NCc1cc(C(C)(C)C)n[nH]1)c1ccc(F)cc1.
What is the InChIKey of (2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide?
The InChIKey is HWKWHNAQOKHHMU-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25FN4O/c1-18(2,3)15-10-14(21-22-15)11-20-17(24)16(23(4)5)12-6-8-13(19)9-7-12/h6-10,16H,11H2,1-5H3,(H,20,24)(H,21,22)/t16-/m1/s1.
What are the key properties of (2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide?
(2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide has a molecular weight of 332.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 97207810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).