2-[ethyl(1H-pyrazol-4-ylcarbamoyl)amino]-2-methylpropanoic acid

C10H16N4O3 — CID 62820587

IUPAC2-[ethyl(1H-pyrazol-4-ylcarbamoyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)Nc1cn[nH]c1)C(C)(C)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-4-14(10(2,3)8(15)16)9(17)13-7-5-11-12-6-7/h5-6H,4H2,1-3H3,(H,11,12)(H,13,17)(H,15,16)
InChIKeyUOPSEIUXIDXFOO-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.13
Rot. Bonds4

About 2-[ethyl(1H-pyrazol-4-ylcarbamoyl)amino]-2-methylpropanoic acid

2-[ethyl(1H-pyrazol-4-ylcarbamoyl)amino]-2-methylpropanoic acid (PubChem CID 62820587) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[ethyl(1H-pyrazol-4-ylcarbamoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl(1H-pyrazol-4-ylcarbamoyl)amino]-2-methylpropanoic acid
PubChem CID62820587
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[ethyl(1H-pyrazol-4-ylcarbamoyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)Nc1cn[nH]c1)C(C)(C)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-4-14(10(2,3)8(15)16)9(17)13-7-5-11-12-6-7/h5-6H,4H2,1-3H3,(H,11,12)(H,13,17)(H,15,16)
InChIKeyUOPSEIUXIDXFOO-UHFFFAOYSA-N
XLogP1.13
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(1H-pyrazol-4-ylcarbamoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl(1H-pyrazol-4-ylcarbamoyl)amino]-2-methylpropanoic acid (CID 62820587) is 2-[ethyl(1H-pyrazol-4-ylcarbamoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl(1H-pyrazol-4-ylcarbamoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl(1H-pyrazol-4-ylcarbamoyl)amino]-2-methylpropanoic acid is CCN(C(=O)Nc1cn[nH]c1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl(1H-pyrazol-4-ylcarbamoyl)amino]-2-methylpropanoic acid?
The InChIKey is UOPSEIUXIDXFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-4-14(10(2,3)8(15)16)9(17)13-7-5-11-12-6-7/h5-6H,4H2,1-3H3,(H,11,12)(H,13,17)(H,15,16).
What are the key properties of 2-[ethyl(1H-pyrazol-4-ylcarbamoyl)amino]-2-methylpropanoic acid?
2-[ethyl(1H-pyrazol-4-ylcarbamoyl)amino]-2-methylpropanoic acid has a molecular weight of 240.26 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(1H-pyrazol-4-ylcarbamoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62820587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).