2-[4-[[methyl(2-methylpropyl)carbamoyl]amino]pyrazol-1-yl]acetic acid

C11H18N4O3 — CID 61195310

IUPAC2-[4-[[methyl(2-methylpropyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
SMILESCC(C)CN(C)C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C11H18N4O3/c1-8(2)5-14(3)11(18)13-9-4-12-15(6-9)7-10(16)17/h4,6,8H,5,7H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyQLWYEPDIQNIOPE-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.09
Rot. Bonds5

About 2-[4-[[methyl(2-methylpropyl)carbamoyl]amino]pyrazol-1-yl]acetic acid

2-[4-[[methyl(2-methylpropyl)carbamoyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 61195310) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[4-[[methyl(2-methylpropyl)carbamoyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[methyl(2-methylpropyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
PubChem CID61195310
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[4-[[methyl(2-methylpropyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
SMILESCC(C)CN(C)C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C11H18N4O3/c1-8(2)5-14(3)11(18)13-9-4-12-15(6-9)7-10(16)17/h4,6,8H,5,7H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyQLWYEPDIQNIOPE-UHFFFAOYSA-N
XLogP1.09
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[butyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61184087
2-[4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61201915
2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 62856426
2-[4-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 54994977
2-[4-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 63208896
2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63065792
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 113416289
2-[4-[[[methyl(2-methylpropyl)carbamoyl]amino]methyl]triazol-1-yl]acetic acid
CID 113314010
2-[4-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 102907100
2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetic acid
CID 61018489
2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid
CID 103513201

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl(2-methylpropyl)carbamoyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[methyl(2-methylpropyl)carbamoyl]amino]pyrazol-1-yl]acetic acid (CID 61195310) is 2-[4-[[methyl(2-methylpropyl)carbamoyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[methyl(2-methylpropyl)carbamoyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[methyl(2-methylpropyl)carbamoyl]amino]pyrazol-1-yl]acetic acid is CC(C)CN(C)C(=O)Nc1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[[methyl(2-methylpropyl)carbamoyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is QLWYEPDIQNIOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-8(2)5-14(3)11(18)13-9-4-12-15(6-9)7-10(16)17/h4,6,8H,5,7H2,1-3H3,(H,13,18)(H,16,17).
What are the key properties of 2-[4-[[methyl(2-methylpropyl)carbamoyl]amino]pyrazol-1-yl]acetic acid?
2-[4-[[methyl(2-methylpropyl)carbamoyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 254.29 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl(2-methylpropyl)carbamoyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61195310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).