N-[(1S)-1-(4-methylphenyl)propyl]-2-propylpyrazole-3-carboxamide

C17H23N3O — CID 35531288

IUPACN-[(1S)-1-(4-methylphenyl)propyl]-2-propylpyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)N[C@@H](CC)c1ccc(C)cc1
InChIInChI=1S/C17H23N3O/c1-4-12-20-16(10-11-18-20)17(21)19-15(5-2)14-8-6-13(3)7-9-14/h6-11,15H,4-5,12H2,1-3H3,(H,19,21)/t15-/m0/s1
InChIKeyVRGVURNQXXDOLP-HNNXBMFYSA-N
MW285.39 g/mol
LogP3.48
Rot. Bonds6

About N-[(1S)-1-(4-methylphenyl)propyl]-2-propylpyrazole-3-carboxamide

N-[(1S)-1-(4-methylphenyl)propyl]-2-propylpyrazole-3-carboxamide (PubChem CID 35531288) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(1S)-1-(4-methylphenyl)propyl]-2-propylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methylphenyl)propyl]-2-propylpyrazole-3-carboxamide
PubChem CID35531288
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(1S)-1-(4-methylphenyl)propyl]-2-propylpyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)N[C@@H](CC)c1ccc(C)cc1
InChIInChI=1S/C17H23N3O/c1-4-12-20-16(10-11-18-20)17(21)19-15(5-2)14-8-6-13(3)7-9-14/h6-11,15H,4-5,12H2,1-3H3,(H,19,21)/t15-/m0/s1
InChIKeyVRGVURNQXXDOLP-HNNXBMFYSA-N
XLogP3.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-propylpyrazole-3-carboxamide
CID 125446560
1-ethyl-5-methyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-carboxamide
CID 19280747
1-methyl-5-[1-(4-methylphenyl)propylcarbamoyl]pyrazole-4-carboxylic acid
CID 19494192
2-(4-methylphenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanone
CID 66064578
1-methyl-N-[(1S)-1-(4-methylphenyl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 35529711
N-(2-methylpropyl)-2-propylpyrazole-3-carboxamide
CID 35522331
N-(5-methyl-2-propylpyrazol-3-yl)-2-propylpyrazole-3-carboxamide
CID 35531688
2-[5-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19487542
2-[3-oxo-3-[1-(4-propan-2-ylphenyl)propylamino]propyl]pyrazole-3-carboxylic acid
CID 19492194
1-methyl-N-[1-(4-methylphenyl)propyl]-6-oxopyridazine-3-carboxamide
CID 78777843
1,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide
CID 19279641
N-(2-fluoro-5-methylphenyl)-2-propylpyrazole-3-carboxamide
CID 35532539

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methylphenyl)propyl]-2-propylpyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-(4-methylphenyl)propyl]-2-propylpyrazole-3-carboxamide (CID 35531288) is N-[(1S)-1-(4-methylphenyl)propyl]-2-propylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-methylphenyl)propyl]-2-propylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-methylphenyl)propyl]-2-propylpyrazole-3-carboxamide is CCCn1nccc1C(=O)N[C@@H](CC)c1ccc(C)cc1.
What is the InChIKey of N-[(1S)-1-(4-methylphenyl)propyl]-2-propylpyrazole-3-carboxamide?
The InChIKey is VRGVURNQXXDOLP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-12-20-16(10-11-18-20)17(21)19-15(5-2)14-8-6-13(3)7-9-14/h6-11,15H,4-5,12H2,1-3H3,(H,19,21)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methylphenyl)propyl]-2-propylpyrazole-3-carboxamide?
N-[(1S)-1-(4-methylphenyl)propyl]-2-propylpyrazole-3-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methylphenyl)propyl]-2-propylpyrazole-3-carboxamide is sourced from PubChem (CID 35531288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).