1-[(1-ethylpyrazol-4-yl)carbamoylamino]cyclobutane-1-carboxylic acid

C11H16N4O3 — CID 81163360

IUPAC1-[(1-ethylpyrazol-4-yl)carbamoylamino]cyclobutane-1-carboxylic acid
SMILESCCn1cc(NC(=O)NC2(C(=O)O)CCC2)cn1
InChIInChI=1S/C11H16N4O3/c1-2-15-7-8(6-12-15)13-10(18)14-11(9(16)17)4-3-5-11/h6-7H,2-5H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeySVNNJQHYWMYSEW-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.03
Rot. Bonds4

About 1-[(1-ethylpyrazol-4-yl)carbamoylamino]cyclobutane-1-carboxylic acid

1-[(1-ethylpyrazol-4-yl)carbamoylamino]cyclobutane-1-carboxylic acid (PubChem CID 81163360) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)carbamoylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)carbamoylamino]cyclobutane-1-carboxylic acid
PubChem CID81163360
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-[(1-ethylpyrazol-4-yl)carbamoylamino]cyclobutane-1-carboxylic acid
SMILESCCn1cc(NC(=O)NC2(C(=O)O)CCC2)cn1
InChIInChI=1S/C11H16N4O3/c1-2-15-7-8(6-12-15)13-10(18)14-11(9(16)17)4-3-5-11/h6-7H,2-5H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeySVNNJQHYWMYSEW-UHFFFAOYSA-N
XLogP1.03
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methylpyrazol-4-yl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61197194
1-(1-ethylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 146087715
1-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 62904289
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123727
1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200421
1-amino-N-(1-ethylpyrazol-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119292190
1-butyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200322
(2S,3R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-hydroxybutanoic acid
CID 104965883
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-2-methylbutanoic acid
CID 79800954
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid
CID 61209725
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxypropanoic acid
CID 81084939

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)carbamoylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)carbamoylamino]cyclobutane-1-carboxylic acid (CID 81163360) is 1-[(1-ethylpyrazol-4-yl)carbamoylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)carbamoylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)carbamoylamino]cyclobutane-1-carboxylic acid is CCn1cc(NC(=O)NC2(C(=O)O)CCC2)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)carbamoylamino]cyclobutane-1-carboxylic acid?
The InChIKey is SVNNJQHYWMYSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-2-15-7-8(6-12-15)13-10(18)14-11(9(16)17)4-3-5-11/h6-7H,2-5H2,1H3,(H,16,17)(H2,13,14,18).
What are the key properties of 1-[(1-ethylpyrazol-4-yl)carbamoylamino]cyclobutane-1-carboxylic acid?
1-[(1-ethylpyrazol-4-yl)carbamoylamino]cyclobutane-1-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)carbamoylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81163360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).