5-[(1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid

C11H17N3O3 — CID 103790923

IUPAC5-[(1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid
SMILESCc1nn(C)cc1C(=O)NCCCCC(=O)O
InChIInChI=1S/C11H17N3O3/c1-8-9(7-14(2)13-8)11(17)12-6-4-3-5-10(15)16/h7H,3-6H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyNFBXELPKHWLXKI-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.71
Rot. Bonds6

About 5-[(1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid

5-[(1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid (PubChem CID 103790923) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-[(1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid
PubChem CID103790923
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-[(1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid
SMILESCc1nn(C)cc1C(=O)NCCCCC(=O)O
InChIInChI=1S/C11H17N3O3/c1-8-9(7-14(2)13-8)11(17)12-6-4-3-5-10(15)16/h7H,3-6H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyNFBXELPKHWLXKI-UHFFFAOYSA-N
XLogP0.71
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorobutyl)-1,3-dimethylpyrazole-4-carboxamide
CID 106845570
N-(5-aminopentyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801078
6-[[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]amino]hexanoic acid
CID 119352202
N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474960
7-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]heptanoic acid
CID 119350736
5-[(1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid
CID 103263035
N-[3-(2-chloroethoxy)propyl]-1,3-dimethylpyrazole-4-carboxamide
CID 106306554
4-(1,3-dimethylpyrazol-4-yl)-4-oxobutanoic acid
CID 83091303
8-[(3-methyl-1,2-thiazole-4-carbonyl)amino]octanoic acid
CID 120535597
N-(2-tert-butylsulfanylethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 74237119
4-[(1,3-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 103790571
N-(2-azidoethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102802240

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-[(1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid (CID 103790923) is 5-[(1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-[(1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid is Cc1nn(C)cc1C(=O)NCCCCC(=O)O.
What is the InChIKey of 5-[(1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid?
The InChIKey is NFBXELPKHWLXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8-9(7-14(2)13-8)11(17)12-6-4-3-5-10(15)16/h7H,3-6H2,1-2H3,(H,12,17)(H,15,16).
What are the key properties of 5-[(1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid?
5-[(1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 103790923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).