1-(2-methoxyethyl)-5-(oxan-4-ylmethyl)pyrazole-3-carboxamide

C13H21N3O3 — CID 67158103

IUPAC1-(2-methoxyethyl)-5-(oxan-4-ylmethyl)pyrazole-3-carboxamide
SMILESCOCCn1nc(C(N)=O)cc1CC1CCOCC1
InChIInChI=1S/C13H21N3O3/c1-18-7-4-16-11(9-12(15-16)13(14)17)8-10-2-5-19-6-3-10/h9-10H,2-8H2,1H3,(H2,14,17)
InChIKeyGAJGQDXVBKUXJV-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.60
Rot. Bonds6

About 1-(2-methoxyethyl)-5-(oxan-4-ylmethyl)pyrazole-3-carboxamide

1-(2-methoxyethyl)-5-(oxan-4-ylmethyl)pyrazole-3-carboxamide (PubChem CID 67158103) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-(oxan-4-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-(oxan-4-ylmethyl)pyrazole-3-carboxamide
PubChem CID67158103
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-(2-methoxyethyl)-5-(oxan-4-ylmethyl)pyrazole-3-carboxamide
SMILESCOCCn1nc(C(N)=O)cc1CC1CCOCC1
InChIInChI=1S/C13H21N3O3/c1-18-7-4-16-11(9-12(15-16)13(14)17)8-10-2-5-19-6-3-10/h9-10H,2-8H2,1H3,(H2,14,17)
InChIKeyGAJGQDXVBKUXJV-UHFFFAOYSA-N
XLogP0.60
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-(oxan-4-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-5-(oxan-4-ylmethyl)pyrazole-3-carboxamide (CID 67158103) is 1-(2-methoxyethyl)-5-(oxan-4-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-5-(oxan-4-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-5-(oxan-4-ylmethyl)pyrazole-3-carboxamide is COCCn1nc(C(N)=O)cc1CC1CCOCC1.
What is the InChIKey of 1-(2-methoxyethyl)-5-(oxan-4-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is GAJGQDXVBKUXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-18-7-4-16-11(9-12(15-16)13(14)17)8-10-2-5-19-6-3-10/h9-10H,2-8H2,1H3,(H2,14,17).
What are the key properties of 1-(2-methoxyethyl)-5-(oxan-4-ylmethyl)pyrazole-3-carboxamide?
1-(2-methoxyethyl)-5-(oxan-4-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-(oxan-4-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 67158103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).