2-[4-(oxolan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid

C12H17N3O4 — CID 19622066

IUPAC2-[4-(oxolan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(C(=O)NCC2CCCO2)cn1
InChIInChI=1S/C12H17N3O4/c1-8(12(17)18)15-7-9(5-14-15)11(16)13-6-10-3-2-4-19-10/h5,7-8,10H,2-4,6H2,1H3,(H,13,16)(H,17,18)
InChIKeyRDQAAKXDCXBXIY-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.44
Rot. Bonds5

About 2-[4-(oxolan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid

2-[4-(oxolan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 19622066) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[4-(oxolan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(oxolan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid
PubChem CID19622066
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[4-(oxolan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(C(=O)NCC2CCCO2)cn1
InChIInChI=1S/C12H17N3O4/c1-8(12(17)18)15-7-9(5-14-15)11(16)13-6-10-3-2-4-19-10/h5,7-8,10H,2-4,6H2,1H3,(H,13,16)(H,17,18)
InChIKeyRDQAAKXDCXBXIY-UHFFFAOYSA-N
XLogP0.44
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536
5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109102110
(2R)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 124737381
N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-3-carboxamide
CID 146131521
1-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 18160340
2-(4-bromo-3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 19533299
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
4-iodo-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-5-carboxamide
CID 40553880
4-iodo-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
CID 4167409
2-methyl-N-(oxolan-2-ylmethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360386
4-amino-N-(oxan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 55014453
4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125440523

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxolan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[4-(oxolan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid (CID 19622066) is 2-[4-(oxolan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(oxolan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(oxolan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid is CC(C(=O)O)n1cc(C(=O)NCC2CCCO2)cn1.
What is the InChIKey of 2-[4-(oxolan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is RDQAAKXDCXBXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8(12(17)18)15-7-9(5-14-15)11(16)13-6-10-3-2-4-19-10/h5,7-8,10H,2-4,6H2,1H3,(H,13,16)(H,17,18).
What are the key properties of 2-[4-(oxolan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid?
2-[4-(oxolan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxolan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19622066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).