N-[(1R)-1-(4-methoxyphenyl)propyl]-1,5-dimethylpyrazole-4-carboxamide

C16H21N3O2 — CID 97310627

IUPACN-[(1R)-1-(4-methoxyphenyl)propyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCC[C@@H](NC(=O)c1cnn(C)c1C)c1ccc(OC)cc1
InChIInChI=1S/C16H21N3O2/c1-5-15(12-6-8-13(21-4)9-7-12)18-16(20)14-10-17-19(3)11(14)2/h6-10,15H,5H2,1-4H3,(H,18,20)/t15-/m1/s1
InChIKeyLGBVDBVEOMOSIC-OAHLLOKOSA-N
MW287.36 g/mol
LogP2.62
Rot. Bonds5

About N-[(1R)-1-(4-methoxyphenyl)propyl]-1,5-dimethylpyrazole-4-carboxamide

N-[(1R)-1-(4-methoxyphenyl)propyl]-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 97310627) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)propyl]-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)propyl]-1,5-dimethylpyrazole-4-carboxamide
PubChem CID97310627
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)propyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCC[C@@H](NC(=O)c1cnn(C)c1C)c1ccc(OC)cc1
InChIInChI=1S/C16H21N3O2/c1-5-15(12-6-8-13(21-4)9-7-12)18-16(20)14-10-17-19(3)11(14)2/h6-10,15H,5H2,1-4H3,(H,18,20)/t15-/m1/s1
InChIKeyLGBVDBVEOMOSIC-OAHLLOKOSA-N
XLogP2.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide
CID 28979661
2-bromo-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 51187408
N-(2-chloro-1-phenylethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 114300138
1-ethyl-5-methyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-carboxamide
CID 19280747
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
1-methyl-5-[1-(4-methylphenyl)propylcarbamoyl]pyrazole-4-carboxylic acid
CID 19494192
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
3-methoxy-N-[(1R)-1-(4-methoxyphenyl)propyl]naphthalene-2-carboxamide
CID 9115734
N-[1-(4-methoxyphenyl)propyl]-6-methylpyridine-2-carboxamide
CID 134001680
2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 134030712
N-[(1R)-1-(4-methoxyphenyl)propyl]-1-phenylpyrazole-4-carboxamide
CID 27853835
N-[1-(4-methoxyphenyl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51275890

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)propyl]-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)propyl]-1,5-dimethylpyrazole-4-carboxamide (CID 97310627) is N-[(1R)-1-(4-methoxyphenyl)propyl]-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)propyl]-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)propyl]-1,5-dimethylpyrazole-4-carboxamide is CC[C@@H](NC(=O)c1cnn(C)c1C)c1ccc(OC)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)propyl]-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is LGBVDBVEOMOSIC-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-15(12-6-8-13(21-4)9-7-12)18-16(20)14-10-17-19(3)11(14)2/h6-10,15H,5H2,1-4H3,(H,18,20)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)propyl]-1,5-dimethylpyrazole-4-carboxamide?
N-[(1R)-1-(4-methoxyphenyl)propyl]-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)propyl]-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 97310627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).