6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexanoic acid

C12H19N3O3 — CID 43583165

IUPAC6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexanoic acid
SMILESCc1n[nH]c(C)c1C(=O)NCCCCCC(=O)O
InChIInChI=1S/C12H19N3O3/c1-8-11(9(2)15-14-8)12(18)13-7-5-3-4-6-10(16)17/h3-7H2,1-2H3,(H,13,18)(H,14,15)(H,16,17)
InChIKeyODNSCOKPXZIESJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.40
Rot. Bonds7

About 6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexanoic acid

6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexanoic acid (PubChem CID 43583165) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexanoic acid
PubChem CID43583165
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexanoic acid
SMILESCc1n[nH]c(C)c1C(=O)NCCCCCC(=O)O
InChIInChI=1S/C12H19N3O3/c1-8-11(9(2)15-14-8)12(18)13-7-5-3-4-6-10(16)17/h3-7H2,1-2H3,(H,13,18)(H,14,15)(H,16,17)
InChIKeyODNSCOKPXZIESJ-UHFFFAOYSA-N
XLogP1.40
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexanoic acid (CID 43583165) is 6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexanoic acid is Cc1n[nH]c(C)c1C(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexanoic acid?
The InChIKey is ODNSCOKPXZIESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8-11(9(2)15-14-8)12(18)13-7-5-3-4-6-10(16)17/h3-7H2,1-2H3,(H,13,18)(H,14,15)(H,16,17).
What are the key properties of 6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexanoic acid?
6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 43583165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).