N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide

C16H18FN3O2 — CID 71808577

IUPACN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide
SMILESCn1nc(CNC(=O)COc2ccccc2F)cc1C1CC1
InChIInChI=1S/C16H18FN3O2/c1-20-14(11-6-7-11)8-12(19-20)9-18-16(21)10-22-15-5-3-2-4-13(15)17/h2-5,8,11H,6-7,9-10H2,1H3,(H,18,21)
InChIKeyQYCUIKROLQOWRN-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.13
Rot. Bonds6

About N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide

N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide (PubChem CID 71808577) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide
PubChem CID71808577
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide
SMILESCn1nc(CNC(=O)COc2ccccc2F)cc1C1CC1
InChIInChI=1S/C16H18FN3O2/c1-20-14(11-6-7-11)8-12(19-20)9-18-16(21)10-22-15-5-3-2-4-13(15)17/h2-5,8,11H,6-7,9-10H2,1H3,(H,18,21)
InChIKeyQYCUIKROLQOWRN-UHFFFAOYSA-N
XLogP2.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide
CID 658913
N-(2-methoxybenzyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 3662930
US10183913, Example 426
CID 138375379
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2-(4-methylphenoxy)acetamide
CID 661649
ethyl {3,5-dimethyl-4-[(phenoxyacetyl)amino]-1H-pyrazol-1-yl}acetate
CID 1506939
[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(4-propoxyphenyl)carbamate
CID 44589918
[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(4-ethoxyphenyl)carbamate
CID 44589975
2-(2,6-dimethylphenoxy)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide
CID 6457385
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-nitrophenoxy)acetamide
CID 9463533
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-2-phenoxyacetamide
CID 661935
N-(4-methoxybenzyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 742291
N-({1-cyclopentyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}methyl)-2-(2-methylphenoxy)acetamide
CID 76148409

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide (CID 71808577) is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide is Cn1nc(CNC(=O)COc2ccccc2F)cc1C1CC1.
What is the InChIKey of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is QYCUIKROLQOWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-20-14(11-6-7-11)8-12(19-20)9-18-16(21)10-22-15-5-3-2-4-13(15)17/h2-5,8,11H,6-7,9-10H2,1H3,(H,18,21).
What are the key properties of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide?
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 303.34 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 71808577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).