N-(2,5-dimethylpyrazol-3-yl)-3-oxododecanamide

C17H29N3O2 — CID 24989928

IUPACN-(2,5-dimethylpyrazol-3-yl)-3-oxododecanamide
SMILESCCCCCCCCCC(=O)CC(=O)Nc1cc(C)nn1C
InChIInChI=1S/C17H29N3O2/c1-4-5-6-7-8-9-10-11-15(21)13-17(22)18-16-12-14(2)19-20(16)3/h12H,4-11,13H2,1-3H3,(H,18,22)
InChIKeyYFXYMQOLDCPZPD-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.77
Rot. Bonds11

About N-(2,5-dimethylpyrazol-3-yl)-3-oxododecanamide

N-(2,5-dimethylpyrazol-3-yl)-3-oxododecanamide (PubChem CID 24989928) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-3-oxododecanamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-3-oxododecanamide
PubChem CID24989928
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-3-oxododecanamide
SMILESCCCCCCCCCC(=O)CC(=O)Nc1cc(C)nn1C
InChIInChI=1S/C17H29N3O2/c1-4-5-6-7-8-9-10-11-15(21)13-17(22)18-16-12-14(2)19-20(16)3/h12H,4-11,13H2,1-3H3,(H,18,22)
InChIKeyYFXYMQOLDCPZPD-UHFFFAOYSA-N
XLogP3.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 574162
N-(2,5-Dimethyl-2H-pyrazol-3-yl)-2,2-dimethyl-propionamide
CID 2818790
N-[3-[(2,5-dimethylpyrazol-3-yl)amino]-3-oxopropyl]cyclopentanecarboxamide
CID 38022798
N-(2,5-dimethylpyrazol-3-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 45877396
N-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-oxolan-2-yl]propanamide
CID 94144978
N-(1-cyclohexyl-3-methyl-1H-pyrazol-5-yl)-3-cyclopropylpropanamide
CID 28310336
3-cyclopropyl-N-(1-isopropyl-3-methyl-1H-pyrazol-5-yl)propanamide
CID 29180484
N-(2,5-dimethylpyrazol-3-yl)cyclobutanecarboxamide
CID 45863470
N-[1-(1-ethylpropyl)-3-methyl-1H-pyrazol-5-yl]-2-(2-oxoazepan-1-yl)acetamide
CID 46991762
2-cyclopropyl-N-(2,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 71860336
N-(2-ethyl-5-methylpyrazol-3-yl)acetamide
CID 10583207
N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylbutanamide
CID 18419639

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-3-oxododecanamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-3-oxododecanamide (CID 24989928) is N-(2,5-dimethylpyrazol-3-yl)-3-oxododecanamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-3-oxododecanamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-3-oxododecanamide is CCCCCCCCCC(=O)CC(=O)Nc1cc(C)nn1C.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-3-oxododecanamide?
The InChIKey is YFXYMQOLDCPZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-4-5-6-7-8-9-10-11-15(21)13-17(22)18-16-12-14(2)19-20(16)3/h12H,4-11,13H2,1-3H3,(H,18,22).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-3-oxododecanamide?
N-(2,5-dimethylpyrazol-3-yl)-3-oxododecanamide has a molecular weight of 307.44 g/mol, XLogP of 3.77, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-3-oxododecanamide is sourced from PubChem (CID 24989928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).