4-methoxy-2,2-dimethyl-N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]butanamide

C19H27N3O2 — CID 126789548

IUPAC4-methoxy-2,2-dimethyl-N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]butanamide
SMILESCOCCC(C)(C)C(=O)Nc1cc(CCc2ccccc2C)[nH]n1
InChIInChI=1S/C19H27N3O2/c1-14-7-5-6-8-15(14)9-10-16-13-17(22-21-16)20-18(23)19(2,3)11-12-24-4/h5-8,13H,9-12H2,1-4H3,(H2,20,21,22,23)
InChIKeyGJNKPZKMXLPKPK-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.50
Rot. Bonds8

About 4-methoxy-2,2-dimethyl-N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]butanamide

4-methoxy-2,2-dimethyl-N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]butanamide (PubChem CID 126789548) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-methoxy-2,2-dimethyl-N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name4-methoxy-2,2-dimethyl-N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]butanamide
PubChem CID126789548
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-methoxy-2,2-dimethyl-N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]butanamide
SMILESCOCCC(C)(C)C(=O)Nc1cc(CCc2ccccc2C)[nH]n1
InChIInChI=1S/C19H27N3O2/c1-14-7-5-6-8-15(14)9-10-16-13-17(22-21-16)20-18(23)19(2,3)11-12-24-4/h5-8,13H,9-12H2,1-4H3,(H2,20,21,22,23)
InChIKeyGJNKPZKMXLPKPK-UHFFFAOYSA-N
XLogP3.50
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,2-dimethyl-N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]butanamide?
The IUPAC name of 4-methoxy-2,2-dimethyl-N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]butanamide (CID 126789548) is 4-methoxy-2,2-dimethyl-N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]butanamide.
What is the SMILES notation for 4-methoxy-2,2-dimethyl-N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]butanamide?
The canonical SMILES for 4-methoxy-2,2-dimethyl-N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]butanamide is COCCC(C)(C)C(=O)Nc1cc(CCc2ccccc2C)[nH]n1.
What is the InChIKey of 4-methoxy-2,2-dimethyl-N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]butanamide?
The InChIKey is GJNKPZKMXLPKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-7-5-6-8-15(14)9-10-16-13-17(22-21-16)20-18(23)19(2,3)11-12-24-4/h5-8,13H,9-12H2,1-4H3,(H2,20,21,22,23).
What are the key properties of 4-methoxy-2,2-dimethyl-N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]butanamide?
4-methoxy-2,2-dimethyl-N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]butanamide has a molecular weight of 329.44 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,2-dimethyl-N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]butanamide is sourced from PubChem (CID 126789548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).