(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxyphenyl)methyl]butanamide

C17H23N3O2 — CID 92693235

IUPAC(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxyphenyl)methyl]butanamide
SMILESCOc1cccc(CNC(=O)C[C@@H](C)n2nc(C)cc2C)c1
InChIInChI=1S/C17H23N3O2/c1-12-8-13(2)20(19-12)14(3)9-17(21)18-11-15-6-5-7-16(10-15)22-4/h5-8,10,14H,9,11H2,1-4H3,(H,18,21)/t14-/m1/s1
InChIKeyFFZAWDKUJXEXMN-CQSZACIVSA-N
MW301.39 g/mol
LogP2.78
Rot. Bonds6

About (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxyphenyl)methyl]butanamide

(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxyphenyl)methyl]butanamide (PubChem CID 92693235) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxyphenyl)methyl]butanamide
PubChem CID92693235
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxyphenyl)methyl]butanamide
SMILESCOc1cccc(CNC(=O)C[C@@H](C)n2nc(C)cc2C)c1
InChIInChI=1S/C17H23N3O2/c1-12-8-13(2)20(19-12)14(3)9-17(21)18-11-15-6-5-7-16(10-15)22-4/h5-8,10,14H,9,11H2,1-4H3,(H,18,21)/t14-/m1/s1
InChIKeyFFZAWDKUJXEXMN-CQSZACIVSA-N
XLogP2.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide
CID 46339681
(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]butanamide
CID 92693207
(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)butanamide
CID 8722005
3-amino-N-[(3-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119678228
N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 60683260
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38159279
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
2-[3-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenyl]acetic acid
CID 119351659
2-[3-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenoxy]acetic acid
CID 119224731
(3S)-N-(2,3-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92693197
2-[4-(1-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 114419801
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxyphenyl)methyl]butanamide?
The IUPAC name of (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxyphenyl)methyl]butanamide (CID 92693235) is (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxyphenyl)methyl]butanamide?
The canonical SMILES for (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxyphenyl)methyl]butanamide is COc1cccc(CNC(=O)C[C@@H](C)n2nc(C)cc2C)c1.
What is the InChIKey of (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxyphenyl)methyl]butanamide?
The InChIKey is FFZAWDKUJXEXMN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-8-13(2)20(19-12)14(3)9-17(21)18-11-15-6-5-7-16(10-15)22-4/h5-8,10,14H,9,11H2,1-4H3,(H,18,21)/t14-/m1/s1.
What are the key properties of (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxyphenyl)methyl]butanamide?
(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxyphenyl)methyl]butanamide has a molecular weight of 301.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 92693235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).