3-[[3-(oxan-4-yl)-1-propan-2-ylpyrazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid

C17H25N3O4 — CID 138054878

IUPAC3-[[3-(oxan-4-yl)-1-propan-2-ylpyrazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid
SMILESCC(C)n1cc(C(=O)NC2CC(C(=O)O)C2)c(C2CCOCC2)n1
InChIInChI=1S/C17H25N3O4/c1-10(2)20-9-14(15(19-20)11-3-5-24-6-4-11)16(21)18-13-7-12(8-13)17(22)23/h9-13H,3-8H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyQQCXSEXJOBYBRK-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.95
Rot. Bonds5

About 3-[[3-(oxan-4-yl)-1-propan-2-ylpyrazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid

3-[[3-(oxan-4-yl)-1-propan-2-ylpyrazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 138054878) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 3-[[3-(oxan-4-yl)-1-propan-2-ylpyrazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(oxan-4-yl)-1-propan-2-ylpyrazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid
PubChem CID138054878
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name3-[[3-(oxan-4-yl)-1-propan-2-ylpyrazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid
SMILESCC(C)n1cc(C(=O)NC2CC(C(=O)O)C2)c(C2CCOCC2)n1
InChIInChI=1S/C17H25N3O4/c1-10(2)20-9-14(15(19-20)11-3-5-24-6-4-11)16(21)18-13-7-12(8-13)17(22)23/h9-13H,3-8H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyQQCXSEXJOBYBRK-UHFFFAOYSA-N
XLogP1.95
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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3-cyclopropyl-1-methyl-N-[1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]piperidin-4-yl]pyrazole-4-carboxamide
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cis-(1S,3R)-3-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675965
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N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
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N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129473437
N-[1-(3,5-dimethylphenyl)ethyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide
CID 128992476
2-propan-2-yl-4,5,6,7-tetrahydroindazole-5-carboxylic acid
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1-(3-methylbutyl)-3-(oxolan-3-yl)pyrazole-4-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(oxan-4-yl)-1-propan-2-ylpyrazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[[3-(oxan-4-yl)-1-propan-2-ylpyrazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid (CID 138054878) is 3-[[3-(oxan-4-yl)-1-propan-2-ylpyrazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[[3-(oxan-4-yl)-1-propan-2-ylpyrazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[[3-(oxan-4-yl)-1-propan-2-ylpyrazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid is CC(C)n1cc(C(=O)NC2CC(C(=O)O)C2)c(C2CCOCC2)n1.
What is the InChIKey of 3-[[3-(oxan-4-yl)-1-propan-2-ylpyrazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is QQCXSEXJOBYBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-10(2)20-9-14(15(19-20)11-3-5-24-6-4-11)16(21)18-13-7-12(8-13)17(22)23/h9-13H,3-8H2,1-2H3,(H,18,21)(H,22,23).
What are the key properties of 3-[[3-(oxan-4-yl)-1-propan-2-ylpyrazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid?
3-[[3-(oxan-4-yl)-1-propan-2-ylpyrazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(oxan-4-yl)-1-propan-2-ylpyrazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 138054878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).