N-[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]acetamide

C14H17N3O2 — CID 99839147

IUPACN-[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]acetamide
SMILESCCn1cc(OCc2cccc(NC(C)=O)c2)cn1
InChIInChI=1S/C14H17N3O2/c1-3-17-9-14(8-15-17)19-10-12-5-4-6-13(7-12)16-11(2)18/h4-9H,3,10H2,1-2H3,(H,16,18)
InChIKeyPNVGAVJZOJILLM-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.44
Rot. Bonds5

About N-[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]acetamide

N-[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]acetamide (PubChem CID 99839147) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]acetamide
PubChem CID99839147
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]acetamide
SMILESCCn1cc(OCc2cccc(NC(C)=O)c2)cn1
InChIInChI=1S/C14H17N3O2/c1-3-17-9-14(8-15-17)19-10-12-5-4-6-13(7-12)16-11(2)18/h4-9H,3,10H2,1-2H3,(H,16,18)
InChIKeyPNVGAVJZOJILLM-UHFFFAOYSA-N
XLogP2.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-9-(1-tert-butylpyrazol-4-
CID 121278085
(2R)-9-(1-isopropylpyrazol-4-
CID 121278114
N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 72003960
N-(2-methoxy-5-methylphenyl)-2-pyrazol-1-ylacetamide
CID 16356435
N-(4-Ethoxyphenyl)-2-[4-(1-methyl-1H-pyrazol-4-YL)-1,2,3,6-tetrahydropyridin-1-YL]acetamide
CID 53026936
N-(2-Ethoxyphenyl)-2-[4-(1-methyl-1H-pyrazol-4-YL)-1,2,3,6-tetrahydropyridin-1-YL]acetamide
CID 53026941
N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide
CID 87330527
N-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroacetamide
CID 87593245
N-(3-fluoro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 172631905
N-(2-ethoxyphenyl)(1-ethylpyrazol-4-yl)carboxamide
CID 1223944
N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526553
N-[2-(difluoromethoxy)-5-methylphenyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555878

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]acetamide?
The IUPAC name of N-[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]acetamide (CID 99839147) is N-[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]acetamide is CCn1cc(OCc2cccc(NC(C)=O)c2)cn1.
What is the InChIKey of N-[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]acetamide?
The InChIKey is PNVGAVJZOJILLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-17-9-14(8-15-17)19-10-12-5-4-6-13(7-12)16-11(2)18/h4-9H,3,10H2,1-2H3,(H,16,18).
What are the key properties of N-[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]acetamide?
N-[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]acetamide has a molecular weight of 259.31 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]acetamide is sourced from PubChem (CID 99839147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).