2-(2-aminoethoxy)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-fluorobenzamide

C17H23FN4O2 — CID 119064151

IUPAC2-(2-aminoethoxy)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-fluorobenzamide
SMILESCc1cc(C)n(CC(C)NC(=O)c2cc(F)ccc2OCCN)n1
InChIInChI=1S/C17H23FN4O2/c1-11-8-13(3)22(21-11)10-12(2)20-17(23)15-9-14(18)4-5-16(15)24-7-6-19/h4-5,8-9,12H,6-7,10,19H2,1-3H3,(H,20,23)
InChIKeyINLCHNAEUGQUQX-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.80
Rot. Bonds7

About 2-(2-aminoethoxy)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-fluorobenzamide

2-(2-aminoethoxy)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-fluorobenzamide (PubChem CID 119064151) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-fluorobenzamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-fluorobenzamide
PubChem CID119064151
Molecular FormulaC17H23FN4O2
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC Name2-(2-aminoethoxy)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-fluorobenzamide
SMILESCc1cc(C)n(CC(C)NC(=O)c2cc(F)ccc2OCCN)n1
InChIInChI=1S/C17H23FN4O2/c1-11-8-13(3)22(21-11)10-12(2)20-17(23)15-9-14(18)4-5-16(15)24-7-6-19/h4-5,8-9,12H,6-7,10,19H2,1-3H3,(H,20,23)
InChIKeyINLCHNAEUGQUQX-UHFFFAOYSA-N
XLogP1.80
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethoxy)-5-fluoro-N-propan-2-ylbenzamide;hydrochloride
CID 166174909
2-(2-aminoethoxy)-5-fluoro-N-[1-(4-methylphenoxy)propan-2-yl]benzamide
CID 118781955
acetic acid;2-(2-aminoethoxy)-5-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
CID 154906225
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,4-difluorobenzamide
CID 47042487
methyl N-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]phenyl]carbamate
CID 56789428
cis-(1R,2S)-2-(2,4-difluorophenyl)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]cyclopropane-1-carboxamide
CID 95625422
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
CID 157012975
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide
CID 166196436
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide
CID 40840974
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 44824942
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2,8-dimethylquinoline-4-carboxamide
CID 51586879
2-(2-aminoethoxy)-N-cyclopropyl-5-fluorobenzamide;hydrochloride
CID 166174911

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-fluorobenzamide?
The IUPAC name of 2-(2-aminoethoxy)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-fluorobenzamide (CID 119064151) is 2-(2-aminoethoxy)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-fluorobenzamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-fluorobenzamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-fluorobenzamide is Cc1cc(C)n(CC(C)NC(=O)c2cc(F)ccc2OCCN)n1.
What is the InChIKey of 2-(2-aminoethoxy)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-fluorobenzamide?
The InChIKey is INLCHNAEUGQUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2/c1-11-8-13(3)22(21-11)10-12(2)20-17(23)15-9-14(18)4-5-16(15)24-7-6-19/h4-5,8-9,12H,6-7,10,19H2,1-3H3,(H,20,23).
What are the key properties of 2-(2-aminoethoxy)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-fluorobenzamide?
2-(2-aminoethoxy)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-fluorobenzamide has a molecular weight of 334.40 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-fluorobenzamide is sourced from PubChem (CID 119064151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).