N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide

C16H21N3O2 — CID 3238161

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide
SMILESCCn1cc(CNC(=O)CCc2ccc(OC)cc2)cn1
InChIInChI=1S/C16H21N3O2/c1-3-19-12-14(11-18-19)10-17-16(20)9-6-13-4-7-15(21-2)8-5-13/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,17,20)
InChIKeyQUPPGRIVUYIKDE-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.16
Rot. Bonds7

About N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide

N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 3238161) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide
PubChem CID3238161
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide
SMILESCCn1cc(CNC(=O)CCc2ccc(OC)cc2)cn1
InChIInChI=1S/C16H21N3O2/c1-3-19-12-14(11-18-19)10-17-16(20)9-6-13-4-7-15(21-2)8-5-13/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,17,20)
InChIKeyQUPPGRIVUYIKDE-UHFFFAOYSA-N
XLogP2.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide (CID 3238161) is N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide is CCn1cc(CNC(=O)CCc2ccc(OC)cc2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is QUPPGRIVUYIKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-19-12-14(11-18-19)10-17-16(20)9-6-13-4-7-15(21-2)8-5-13/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,17,20).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide?
N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 287.36 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 3238161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).