5-(ethylcarbamoylamino)-1H-pyrazole-4-carboxylic acid

C7H10N4O3 — CID 89214897

IUPAC5-(ethylcarbamoylamino)-1H-pyrazole-4-carboxylic acid
SMILESCCNC(=O)Nc1[nH]ncc1C(=O)O
InChIInChI=1S/C7H10N4O3/c1-2-8-7(14)10-5-4(6(12)13)3-9-11-5/h3H,2H2,1H3,(H,12,13)(H3,8,9,10,11,14)
InChIKeyQRNXUWINDBBVOI-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.25
Rot. Bonds3

About 5-(ethylcarbamoylamino)-1H-pyrazole-4-carboxylic acid

5-(ethylcarbamoylamino)-1H-pyrazole-4-carboxylic acid (PubChem CID 89214897) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 5-(ethylcarbamoylamino)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(ethylcarbamoylamino)-1H-pyrazole-4-carboxylic acid
PubChem CID89214897
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name5-(ethylcarbamoylamino)-1H-pyrazole-4-carboxylic acid
SMILESCCNC(=O)Nc1[nH]ncc1C(=O)O
InChIInChI=1S/C7H10N4O3/c1-2-8-7(14)10-5-4(6(12)13)3-9-11-5/h3H,2H2,1H3,(H,12,13)(H3,8,9,10,11,14)
InChIKeyQRNXUWINDBBVOI-UHFFFAOYSA-N
XLogP0.25
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylcarbamoylamino)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(ethylcarbamoylamino)-1H-pyrazole-4-carboxylic acid (CID 89214897) is 5-(ethylcarbamoylamino)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(ethylcarbamoylamino)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(ethylcarbamoylamino)-1H-pyrazole-4-carboxylic acid is CCNC(=O)Nc1[nH]ncc1C(=O)O.
What is the InChIKey of 5-(ethylcarbamoylamino)-1H-pyrazole-4-carboxylic acid?
The InChIKey is QRNXUWINDBBVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-2-8-7(14)10-5-4(6(12)13)3-9-11-5/h3H,2H2,1H3,(H,12,13)(H3,8,9,10,11,14).
What are the key properties of 5-(ethylcarbamoylamino)-1H-pyrazole-4-carboxylic acid?
5-(ethylcarbamoylamino)-1H-pyrazole-4-carboxylic acid has a molecular weight of 198.18 g/mol, XLogP of 0.25, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylcarbamoylamino)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 89214897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).