5-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methylcarbamoyl]furan-2-carboxylic acid

C17H21N3O5 — CID 146135749

IUPAC5-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methylcarbamoyl]furan-2-carboxylic acid
SMILESCCn1cc([C@@H]2OCCC[C@H]2CNC(=O)c2ccc(C(=O)O)o2)cn1
InChIInChI=1S/C17H21N3O5/c1-2-20-10-12(9-19-20)15-11(4-3-7-24-15)8-18-16(21)13-5-6-14(25-13)17(22)23/h5-6,9-11,15H,2-4,7-8H2,1H3,(H,18,21)(H,22,23)/t11-,15+/m0/s1
InChIKeyPYRIORYZZZGGNY-XHDPSFHLSA-N
MW347.37 g/mol
LogP2.09
Rot. Bonds6

About 5-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methylcarbamoyl]furan-2-carboxylic acid

5-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methylcarbamoyl]furan-2-carboxylic acid (PubChem CID 146135749) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is 5-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methylcarbamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methylcarbamoyl]furan-2-carboxylic acid
PubChem CID146135749
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Name5-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methylcarbamoyl]furan-2-carboxylic acid
SMILESCCn1cc([C@@H]2OCCC[C@H]2CNC(=O)c2ccc(C(=O)O)o2)cn1
InChIInChI=1S/C17H21N3O5/c1-2-20-10-12(9-19-20)15-11(4-3-7-24-15)8-18-16(21)13-5-6-14(25-13)17(22)23/h5-6,9-11,15H,2-4,7-8H2,1H3,(H,18,21)(H,22,23)/t11-,15+/m0/s1
InChIKeyPYRIORYZZZGGNY-XHDPSFHLSA-N
XLogP2.09
TPSA106.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methylcarbamoyl]furan-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(1-ethylpyrazol-4-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 103571051
[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methanamine
CID 122164121
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 154761305
(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124681119
[(2R,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methanone
CID 128736435
N-[(3,4-dimethoxyphenyl)methyl]-1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 96510842
(2R)-2-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one
CID 98787315
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-2-fluoro-3-methylbenzamide
CID 129006150
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 97060263
N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 71929279
(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]oxan-3-amine
CID 129342159
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 96510824

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methylcarbamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methylcarbamoyl]furan-2-carboxylic acid (CID 146135749) is 5-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methylcarbamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methylcarbamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methylcarbamoyl]furan-2-carboxylic acid is CCn1cc([C@@H]2OCCC[C@H]2CNC(=O)c2ccc(C(=O)O)o2)cn1.
What is the InChIKey of 5-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methylcarbamoyl]furan-2-carboxylic acid?
The InChIKey is PYRIORYZZZGGNY-XHDPSFHLSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-2-20-10-12(9-19-20)15-11(4-3-7-24-15)8-18-16(21)13-5-6-14(25-13)17(22)23/h5-6,9-11,15H,2-4,7-8H2,1H3,(H,18,21)(H,22,23)/t11-,15+/m0/s1.
What are the key properties of 5-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methylcarbamoyl]furan-2-carboxylic acid?
5-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methylcarbamoyl]furan-2-carboxylic acid has a molecular weight of 347.37 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methylcarbamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 146135749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).