4-[[(1-cyclopentylpyrazole-3-carbonyl)amino]methyl]oxane-4-carboxylic acid

C16H23N3O4 — CID 120543379

IUPAC4-[[(1-cyclopentylpyrazole-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCOCC1)c1ccn(C2CCCC2)n1
InChIInChI=1S/C16H23N3O4/c20-14(13-5-8-19(18-13)12-3-1-2-4-12)17-11-16(15(21)22)6-9-23-10-7-16/h5,8,12H,1-4,6-7,9-11H2,(H,17,20)(H,21,22)
InChIKeyZHOBBIUXOMEUJL-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.61
Rot. Bonds5

About 4-[[(1-cyclopentylpyrazole-3-carbonyl)amino]methyl]oxane-4-carboxylic acid

4-[[(1-cyclopentylpyrazole-3-carbonyl)amino]methyl]oxane-4-carboxylic acid (PubChem CID 120543379) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[[(1-cyclopentylpyrazole-3-carbonyl)amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[(1-cyclopentylpyrazole-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
PubChem CID120543379
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name4-[[(1-cyclopentylpyrazole-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCOCC1)c1ccn(C2CCCC2)n1
InChIInChI=1S/C16H23N3O4/c20-14(13-5-8-19(18-13)12-3-1-2-4-12)17-11-16(15(21)22)6-9-23-10-7-16/h5,8,12H,1-4,6-7,9-11H2,(H,17,20)(H,21,22)
InChIKeyZHOBBIUXOMEUJL-UHFFFAOYSA-N
XLogP1.61
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-aminocycloheptyl)methyl]-1-cyclohexylpyrazole-3-carboxamide
CID 154577373
4-[[[4-(1,2,4-triazol-4-yl)benzoyl]amino]methyl]oxane-4-carboxylic acid
CID 120542872
1-cyclopentyl-N-[2-[ethyl(methyl)amino]ethyl]pyrazole-3-carboxamide
CID 71968725
1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 66026844
N-benzyl-1-cyclopropylpyrazole-3-carboxamide
CID 155012818
4-[(cyclopentanecarbonylamino)methyl]oxane-4-carboxylic acid
CID 115438442
1-cyclopentyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 35762704
4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115438340
4-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115439957
4-[[[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542922
4-[[(2-methylcyclopentene-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542195
4-[[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 115440404

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-cyclopentylpyrazole-3-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[(1-cyclopentylpyrazole-3-carbonyl)amino]methyl]oxane-4-carboxylic acid (CID 120543379) is 4-[[(1-cyclopentylpyrazole-3-carbonyl)amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[(1-cyclopentylpyrazole-3-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[(1-cyclopentylpyrazole-3-carbonyl)amino]methyl]oxane-4-carboxylic acid is O=C(NCC1(C(=O)O)CCOCC1)c1ccn(C2CCCC2)n1.
What is the InChIKey of 4-[[(1-cyclopentylpyrazole-3-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The InChIKey is ZHOBBIUXOMEUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c20-14(13-5-8-19(18-13)12-3-1-2-4-12)17-11-16(15(21)22)6-9-23-10-7-16/h5,8,12H,1-4,6-7,9-11H2,(H,17,20)(H,21,22).
What are the key properties of 4-[[(1-cyclopentylpyrazole-3-carbonyl)amino]methyl]oxane-4-carboxylic acid?
4-[[(1-cyclopentylpyrazole-3-carbonyl)amino]methyl]oxane-4-carboxylic acid has a molecular weight of 321.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-cyclopentylpyrazole-3-carbonyl)amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 120543379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).