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

C11H18N4O3 — CID 61184087

IUPAC2-[4-[[butyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
SMILESCCCCN(C)C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C11H18N4O3/c1-3-4-5-14(2)11(18)13-9-6-12-15(7-9)8-10(16)17/h6-7H,3-5,8H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyZKMNWXCZPPHWRQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.23
Rot. Bonds6

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

2-[4-[[butyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 61184087) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[4-[[butyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[butyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
PubChem CID61184087
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[4-[[butyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
SMILESCCCCN(C)C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C11H18N4O3/c1-3-4-5-14(2)11(18)13-9-6-12-15(7-9)8-10(16)17/h6-7H,3-5,8H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyZKMNWXCZPPHWRQ-UHFFFAOYSA-N
XLogP1.23
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[butyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[butyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid (CID 61184087) is 2-[4-[[butyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[butyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[butyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid is CCCCN(C)C(=O)Nc1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[[butyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is ZKMNWXCZPPHWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-3-4-5-14(2)11(18)13-9-6-12-15(7-9)8-10(16)17/h6-7H,3-5,8H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 2-[4-[[butyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid?
2-[4-[[butyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 254.29 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[butyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61184087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).