2-[4-[[butyl(2-hydroxyethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid

C12H20N4O4 — CID 61447696

IUPAC2-[4-[[butyl(2-hydroxyethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
SMILESCCCCN(CCO)C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C12H20N4O4/c1-2-3-4-15(5-6-17)12(20)14-10-7-13-16(8-10)9-11(18)19/h7-8,17H,2-6,9H2,1H3,(H,14,20)(H,18,19)
InChIKeyAARSESJBUHZDAL-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.59
Rot. Bonds8

About 2-[4-[[butyl(2-hydroxyethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid

2-[4-[[butyl(2-hydroxyethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 61447696) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[4-[[butyl(2-hydroxyethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[butyl(2-hydroxyethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
PubChem CID61447696
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name2-[4-[[butyl(2-hydroxyethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
SMILESCCCCN(CCO)C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C12H20N4O4/c1-2-3-4-15(5-6-17)12(20)14-10-7-13-16(8-10)9-11(18)19/h7-8,17H,2-6,9H2,1H3,(H,14,20)(H,18,19)
InChIKeyAARSESJBUHZDAL-UHFFFAOYSA-N
XLogP0.59
TPSA107.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[butyl(2-hydroxyethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-3-(1-ethylpyrazol-4-yl)-1-(2-hydroxyethyl)urea
CID 47200418
2-[4-[[butyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61184087
2-[4-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 54994977
2-[4-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]triazol-1-yl]acetic acid
CID 115458591
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
2-[4-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 63286943
2-[4-(octylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 115569282
2-[4-[[methyl(2-methylpropyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61195310
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808
2-[4-(2-aminohexanoylamino)pyrazol-1-yl]acetic acid
CID 61285745
1-(2-hydroxyethyl)-3-phenyl-1-undecylurea
CID 70451899
1-butyl-3-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-hydroxyethyl)urea
CID 47434526

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[butyl(2-hydroxyethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[butyl(2-hydroxyethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid (CID 61447696) is 2-[4-[[butyl(2-hydroxyethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[butyl(2-hydroxyethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[butyl(2-hydroxyethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid is CCCCN(CCO)C(=O)Nc1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[[butyl(2-hydroxyethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is AARSESJBUHZDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-2-3-4-15(5-6-17)12(20)14-10-7-13-16(8-10)9-11(18)19/h7-8,17H,2-6,9H2,1H3,(H,14,20)(H,18,19).
What are the key properties of 2-[4-[[butyl(2-hydroxyethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid?
2-[4-[[butyl(2-hydroxyethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 284.32 g/mol, XLogP of 0.59, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[butyl(2-hydroxyethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61447696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).