3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide

C17H29N3O — CID 47005374

IUPAC3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
SMILESCc1cc(C)n(CCCNC(=O)CCC2CCCCC2)n1
InChIInChI=1S/C17H29N3O/c1-14-13-15(2)20(19-14)12-6-11-18-17(21)10-9-16-7-4-3-5-8-16/h13,16H,3-12H2,1-2H3,(H,18,21)
InChIKeyUJDGPMPNSUNNQL-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.37
Rot. Bonds7

About 3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide

3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide (PubChem CID 47005374) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
PubChem CID47005374
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
SMILESCc1cc(C)n(CCCNC(=O)CCC2CCCCC2)n1
InChIInChI=1S/C17H29N3O/c1-14-13-15(2)20(19-14)12-6-11-18-17(21)10-9-16-7-4-3-5-8-16/h13,16H,3-12H2,1-2H3,(H,18,21)
InChIKeyUJDGPMPNSUNNQL-UHFFFAOYSA-N
XLogP3.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopentylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 115574328
3-cyclohexyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide
CID 7780052
1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19575124
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-2-carboxamide
CID 114536594
6-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]hexanamide
CID 115597233
1-(3-cyclohexyloxypropyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 86993142
N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 114536339
1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 113233160
5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpentanamide
CID 114536632
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-1-carboxamide
CID 115575262
N-cyclohexyl-2-[[N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111280151
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426633

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide (CID 47005374) is 3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide is Cc1cc(C)n(CCCNC(=O)CCC2CCCCC2)n1.
What is the InChIKey of 3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide?
The InChIKey is UJDGPMPNSUNNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-14-13-15(2)20(19-14)12-6-11-18-17(21)10-9-16-7-4-3-5-8-16/h13,16H,3-12H2,1-2H3,(H,18,21).
What are the key properties of 3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide?
3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide has a molecular weight of 291.44 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide is sourced from PubChem (CID 47005374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).