N-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide

C16H21N3O3 — CID 46339658

IUPACN-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
SMILESCOc1cc(NC(=O)CC(C)n2ccc(C)n2)cc(OC)c1
InChIInChI=1S/C16H21N3O3/c1-11-5-6-19(18-11)12(2)7-16(20)17-13-8-14(21-3)10-15(9-13)22-4/h5-6,8-10,12H,7H2,1-4H3,(H,17,20)
InChIKeyKKXFLNGHULQYHC-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.80
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide

N-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide (PubChem CID 46339658) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
PubChem CID46339658
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
SMILESCOc1cc(NC(=O)CC(C)n2ccc(C)n2)cc(OC)c1
InChIInChI=1S/C16H21N3O3/c1-11-5-6-19(18-11)12(2)7-16(20)17-13-8-14(21-3)10-15(9-13)22-4/h5-6,8-10,12H,7H2,1-4H3,(H,17,20)
InChIKeyKKXFLNGHULQYHC-UHFFFAOYSA-N
XLogP2.80
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide (CID 46339658) is N-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide is COc1cc(NC(=O)CC(C)n2ccc(C)n2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide?
The InChIKey is KKXFLNGHULQYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11-5-6-19(18-11)12(2)7-16(20)17-13-8-14(21-3)10-15(9-13)22-4/h5-6,8-10,12H,7H2,1-4H3,(H,17,20).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide?
N-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide has a molecular weight of 303.36 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide is sourced from PubChem (CID 46339658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).