2-[3-[(2-ethoxycyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid

C11H15N3O4 — CID 119230729

IUPAC2-[3-[(2-ethoxycyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCCOC1CC1C(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C11H15N3O4/c1-2-18-8-5-7(8)11(17)12-9-3-4-14(13-9)6-10(15)16/h3-4,7-8H,2,5-6H2,1H3,(H,15,16)(H,12,13,17)
InChIKeyMZGBASVIYPPFLN-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.33
Rot. Bonds6

About 2-[3-[(2-ethoxycyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid

2-[3-[(2-ethoxycyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 119230729) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[3-[(2-ethoxycyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-ethoxycyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid
PubChem CID119230729
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[3-[(2-ethoxycyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCCOC1CC1C(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C11H15N3O4/c1-2-18-8-5-7(8)11(17)12-9-3-4-14(13-9)6-10(15)16/h3-4,7-8H,2,5-6H2,1H3,(H,15,16)(H,12,13,17)
InChIKeyMZGBASVIYPPFLN-UHFFFAOYSA-N
XLogP0.33
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 129380619
2-[3-(thiane-4-carbonylamino)pyrazol-1-yl]acetic acid
CID 120524678
2-[3-(butanoylamino)pyrazol-1-yl]acetic acid
CID 119230770
2-[3-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 124570042
2-[3-[[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 124569997
2-[3-(4-ethoxybutanoylamino)pyrazol-1-yl]acetic acid
CID 119231036
2-[3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 125153102
2-[3-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]pyrazol-1-yl]acetic acid
CID 124570069
6-[(1-ethylpyrazol-3-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 19620237
2-[3-[[(2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 125154053
2-[3-[[5-(diethylamino)-5-oxopentanoyl]amino]pyrazol-1-yl]acetic acid
CID 119230833
2-[3-[(3-ethylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 119231148

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-ethoxycyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[(2-ethoxycyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid (CID 119230729) is 2-[3-[(2-ethoxycyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(2-ethoxycyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(2-ethoxycyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid is CCOC1CC1C(=O)Nc1ccn(CC(=O)O)n1.
What is the InChIKey of 2-[3-[(2-ethoxycyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is MZGBASVIYPPFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-2-18-8-5-7(8)11(17)12-9-3-4-14(13-9)6-10(15)16/h3-4,7-8H,2,5-6H2,1H3,(H,15,16)(H,12,13,17).
What are the key properties of 2-[3-[(2-ethoxycyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid?
2-[3-[(2-ethoxycyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 253.26 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-ethoxycyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119230729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).