N-[(3-methoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide

C16H21N3O2 — CID 46339681

IUPACN-[(3-methoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide
SMILESCOc1cccc(CNC(=O)CC(C)n2ccc(C)n2)c1
InChIInChI=1S/C16H21N3O2/c1-12-7-8-19(18-12)13(2)9-16(20)17-11-14-5-4-6-15(10-14)21-3/h4-8,10,13H,9,11H2,1-3H3,(H,17,20)
InChIKeyXMEGWWBRKSEGNC-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.47
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide

N-[(3-methoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide (PubChem CID 46339681) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide
PubChem CID46339681
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide
SMILESCOc1cccc(CNC(=O)CC(C)n2ccc(C)n2)c1
InChIInChI=1S/C16H21N3O2/c1-12-7-8-19(18-12)13(2)9-16(20)17-11-14-5-4-6-15(10-14)21-3/h4-8,10,13H,9,11H2,1-3H3,(H,17,20)
InChIKeyXMEGWWBRKSEGNC-UHFFFAOYSA-N
XLogP2.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxyphenyl)methyl]butanamide
CID 92693235
(3S)-N-(3-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708150
3-amino-N-[(3-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119678228
(3R)-N-(4-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708151
N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 60683260
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
2-cyano-N-[(3-methoxyphenyl)methyl]acetamide
CID 55134556
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733
N-[(3-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 78780331
(3S)-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide
CID 92709429
2-(2,6-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495693
2-(3-amino-2-methylpropyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 66225874

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide (CID 46339681) is N-[(3-methoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide is COc1cccc(CNC(=O)CC(C)n2ccc(C)n2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide?
The InChIKey is XMEGWWBRKSEGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-7-8-19(18-12)13(2)9-16(20)17-11-14-5-4-6-15(10-14)21-3/h4-8,10,13H,9,11H2,1-3H3,(H,17,20).
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide?
N-[(3-methoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide has a molecular weight of 287.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide is sourced from PubChem (CID 46339681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).