2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pent-4-ynoic acid

C11H14N4O4 — CID 114256171

IUPAC2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pent-4-ynoic acid
SMILESC#CCC(NC(=O)Nc1cc(OC)n(C)n1)C(=O)O
InChIInChI=1S/C11H14N4O4/c1-4-5-7(10(16)17)12-11(18)13-8-6-9(19-3)15(2)14-8/h1,6-7H,5H2,2-3H3,(H,16,17)(H2,12,13,14,18)
InChIKeySJAGEUNKEGVXGN-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.03
Rot. Bonds5

About 2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pent-4-ynoic acid

2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pent-4-ynoic acid (PubChem CID 114256171) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pent-4-ynoic acid.

Molecular Properties

Compound Name2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pent-4-ynoic acid
PubChem CID114256171
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pent-4-ynoic acid
SMILESC#CCC(NC(=O)Nc1cc(OC)n(C)n1)C(=O)O
InChIInChI=1S/C11H14N4O4/c1-4-5-7(10(16)17)12-11(18)13-8-6-9(19-3)15(2)14-8/h1,6-7H,5H2,2-3H3,(H,16,17)(H2,12,13,14,18)
InChIKeySJAGEUNKEGVXGN-UHFFFAOYSA-N
XLogP0.03
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid
CID 114256177
2-chloro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide
CID 130497501
2-(butan-2-ylamino)-N-(5-methoxy-1-methylpyrazol-3-yl)acetamide
CID 114255909
(2S)-2-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-3-methylpentanamide
CID 114255933
2-[(1,5-dimethylpyrazol-3-yl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 108813299
2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]pent-4-ynoic acid
CID 106037684
4-amino-N-(5-methoxy-1-methylpyrazol-3-yl)benzamide
CID 114255282
2-[(2-chloro-5-fluorophenyl)carbamoylamino]pent-4-ynoic acid
CID 107529915
3-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoylamino]-2-methylpropanoic acid
CID 114256151
3-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazole-5-carboxamide
CID 114255287
2-[(5-methoxy-1-methylpyrazol-3-yl)amino]ethanol
CID 130168341
3-amino-3-hydroxyimino-N-(5-methoxy-1-methylpyrazol-3-yl)-2,2-dimethylpropanamide
CID 114256333

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pent-4-ynoic acid?
The IUPAC name of 2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pent-4-ynoic acid (CID 114256171) is 2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pent-4-ynoic acid.
What is the SMILES notation for 2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pent-4-ynoic acid?
The canonical SMILES for 2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pent-4-ynoic acid is C#CCC(NC(=O)Nc1cc(OC)n(C)n1)C(=O)O.
What is the InChIKey of 2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pent-4-ynoic acid?
The InChIKey is SJAGEUNKEGVXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-4-5-7(10(16)17)12-11(18)13-8-6-9(19-3)15(2)14-8/h1,6-7H,5H2,2-3H3,(H,16,17)(H2,12,13,14,18).
What are the key properties of 2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pent-4-ynoic acid?
2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pent-4-ynoic acid has a molecular weight of 266.26 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pent-4-ynoic acid is sourced from PubChem (CID 114256171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).