N-(furan-2-ylmethyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide

C18H19N3O3 — CID 102552868

IUPACN-(furan-2-ylmethyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide
SMILESCc1cn(-c2ccccc2)nc1OC(C)C(=O)NCc1ccco1
InChIInChI=1S/C18H19N3O3/c1-13-12-21(15-7-4-3-5-8-15)20-18(13)24-14(2)17(22)19-11-16-9-6-10-23-16/h3-10,12,14H,11H2,1-2H3,(H,19,22)
InChIKeyNLWGGTLEPRJJCG-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.86
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide

N-(furan-2-ylmethyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide (PubChem CID 102552868) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide
PubChem CID102552868
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-(furan-2-ylmethyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide
SMILESCc1cn(-c2ccccc2)nc1OC(C)C(=O)NCc1ccco1
InChIInChI=1S/C18H19N3O3/c1-13-12-21(15-7-4-3-5-8-15)20-18(13)24-14(2)17(22)19-11-16-9-6-10-23-16/h3-10,12,14H,11H2,1-2H3,(H,19,22)
InChIKeyNLWGGTLEPRJJCG-UHFFFAOYSA-N
XLogP2.86
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide
CID 102552852
(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide
CID 100819736
(2R)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
CID 100819734
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide
CID 110210593
(2R)-N-(3-methoxypropyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide
CID 100819764
(2R)-N-benzyl-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropanamide
CID 100829357
(2R)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-pyridin-2-ylpropanamide
CID 100819781
2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 102552878
(2S)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide
CID 100830030
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 51917518
3-[[(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide
CID 100819794
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(1,5-dimethylpyrazol-3-yl)methyl]propanamide
CID 102567223

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide (CID 102552868) is N-(furan-2-ylmethyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide is Cc1cn(-c2ccccc2)nc1OC(C)C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide?
The InChIKey is NLWGGTLEPRJJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13-12-21(15-7-4-3-5-8-15)20-18(13)24-14(2)17(22)19-11-16-9-6-10-23-16/h3-10,12,14H,11H2,1-2H3,(H,19,22).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide?
N-(furan-2-ylmethyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide has a molecular weight of 325.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide is sourced from PubChem (CID 102552868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).