2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C18H25FN4O2 — CID 56792911

IUPAC2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C(=O)Nc1ccnn1C(C)C)N(C)CC(O)c1ccc(F)cc1
InChIInChI=1S/C18H25FN4O2/c1-12(2)23-17(9-10-20-23)21-18(25)13(3)22(4)11-16(24)14-5-7-15(19)8-6-14/h5-10,12-13,16,24H,11H2,1-4H3,(H,21,25)
InChIKeyUUPODGWAIANJMW-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.60
Rot. Bonds7

About 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 56792911) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID56792911
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC Name2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C(=O)Nc1ccnn1C(C)C)N(C)CC(O)c1ccc(F)cc1
InChIInChI=1S/C18H25FN4O2/c1-12(2)23-17(9-10-20-23)21-18(25)13(3)22(4)11-16(24)14-5-7-15(19)8-6-14/h5-10,12-13,16,24H,11H2,1-4H3,(H,21,25)
InChIKeyUUPODGWAIANJMW-UHFFFAOYSA-N
XLogP2.60
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 31374774
(2R)-2-(4-fluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 7553492
(2R)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 51925651
(2S)-2-[1-adamantylmethyl(methyl)amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 51925881
[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-fluorophenyl)acetate
CID 8612742
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 78772250
1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 111422275
3-(ethylamino)-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 62853946
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 46571508
(2S)-2-[(4-fluorophenyl)methyl-methylamino]-N-pyrimidin-2-ylpropanamide
CID 94177190
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-bromo-4-fluorobenzoate
CID 8837562
(2R)-2-amino-N-(2-propan-2-ylpyrazol-3-yl)pentanamide
CID 103794002

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 56792911) is 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide is CC(C(=O)Nc1ccnn1C(C)C)N(C)CC(O)c1ccc(F)cc1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is UUPODGWAIANJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-12(2)23-17(9-10-20-23)21-18(25)13(3)22(4)11-16(24)14-5-7-15(19)8-6-14/h5-10,12-13,16,24H,11H2,1-4H3,(H,21,25).
What are the key properties of 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 348.42 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 56792911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).