5-azido-2-(1,3-dimethylpyrazol-4-yl)pentanoic acid

C10H15N5O2 — CID 118308730

IUPAC5-azido-2-(1,3-dimethylpyrazol-4-yl)pentanoic acid
SMILESCc1nn(C)cc1C(CCCN=[N+]=[N-])C(=O)O
InChIInChI=1S/C10H15N5O2/c1-7-9(6-15(2)13-7)8(10(16)17)4-3-5-12-14-11/h6,8H,3-5H2,1-2H3,(H,16,17)
InChIKeyMDXLWAHBGCKKSR-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.99
Rot. Bonds6

About 5-azido-2-(1,3-dimethylpyrazol-4-yl)pentanoic acid

5-azido-2-(1,3-dimethylpyrazol-4-yl)pentanoic acid (PubChem CID 118308730) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-azido-2-(1,3-dimethylpyrazol-4-yl)pentanoic acid.

Molecular Properties

Compound Name5-azido-2-(1,3-dimethylpyrazol-4-yl)pentanoic acid
PubChem CID118308730
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name5-azido-2-(1,3-dimethylpyrazol-4-yl)pentanoic acid
SMILESCc1nn(C)cc1C(CCCN=[N+]=[N-])C(=O)O
InChIInChI=1S/C10H15N5O2/c1-7-9(6-15(2)13-7)8(10(16)17)4-3-5-12-14-11/h6,8H,3-5H2,1-2H3,(H,16,17)
InChIKeyMDXLWAHBGCKKSR-UHFFFAOYSA-N
XLogP1.99
TPSA103.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(1S)-2-azido-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83092774
2-(2-azidoethylamino)-2-(3-tert-butyl-1-methylpyrazol-4-yl)acetic acid
CID 83088957
N-(2-azidoethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102802240
(3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid
CID 83089212
1-(1,3-dimethylpyrazol-4-yl)-5-methylhexan-1-ol
CID 83157835
1-(1,3-dimethylpyrazol-4-yl)butan-1-ol
CID 83090747
(1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83000950
ethyl 3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 83089787
ethyl (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 83089708
(2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 103791188
1,3-dimethylpyrazole-4-carboxylic acid;ethane
CID 142969611
2-amino-2-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83091814

Frequently Asked Questions

What is the IUPAC name of 5-azido-2-(1,3-dimethylpyrazol-4-yl)pentanoic acid?
The IUPAC name of 5-azido-2-(1,3-dimethylpyrazol-4-yl)pentanoic acid (CID 118308730) is 5-azido-2-(1,3-dimethylpyrazol-4-yl)pentanoic acid.
What is the SMILES notation for 5-azido-2-(1,3-dimethylpyrazol-4-yl)pentanoic acid?
The canonical SMILES for 5-azido-2-(1,3-dimethylpyrazol-4-yl)pentanoic acid is Cc1nn(C)cc1C(CCCN=[N+]=[N-])C(=O)O.
What is the InChIKey of 5-azido-2-(1,3-dimethylpyrazol-4-yl)pentanoic acid?
The InChIKey is MDXLWAHBGCKKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-7-9(6-15(2)13-7)8(10(16)17)4-3-5-12-14-11/h6,8H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 5-azido-2-(1,3-dimethylpyrazol-4-yl)pentanoic acid?
5-azido-2-(1,3-dimethylpyrazol-4-yl)pentanoic acid has a molecular weight of 237.26 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-2-(1,3-dimethylpyrazol-4-yl)pentanoic acid is sourced from PubChem (CID 118308730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).