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

C12H18N4O3 — CID 62856426

IUPAC2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
SMILESCN(CC1CCC1)C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C12H18N4O3/c1-15(6-9-3-2-4-9)12(19)14-10-5-13-16(7-10)8-11(17)18/h5,7,9H,2-4,6,8H2,1H3,(H,14,19)(H,17,18)
InChIKeyVYVFLCRUGDFWGZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.23
Rot. Bonds5

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

2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 62856426) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
PubChem CID62856426
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
SMILESCN(CC1CCC1)C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C12H18N4O3/c1-15(6-9-3-2-4-9)12(19)14-10-5-13-16(7-10)8-11(17)18/h5,7,9H,2-4,6,8H2,1H3,(H,14,19)(H,17,18)
InChIKeyVYVFLCRUGDFWGZ-UHFFFAOYSA-N
XLogP1.23
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclobutylmethyl)-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96567749
2-[4-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 63208896
2-[4-[[methyl(2-methylpropyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61195310
2-[4-[[butyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61184087
N-cyclopentyl-2-[4-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetamide
CID 127400528
2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid
CID 61018747
2-[4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61201915
2-[4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 61408275
2-[4-[(2-methylpyrrolidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61207089
2-[4-[(2-methylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61186790
2-[4-[[(2R,5R)-5-methyloxolane-2-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 138002028
5-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 55166012

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid (CID 62856426) is 2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid is CN(CC1CCC1)C(=O)Nc1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is VYVFLCRUGDFWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-15(6-9-3-2-4-9)12(19)14-10-5-13-16(7-10)8-11(17)18/h5,7,9H,2-4,6,8H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid?
2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 62856426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).