3,5-dimethoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide

C17H21N3O4 — CID 71810179

IUPAC3,5-dimethoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cnn(C3CCOCC3)c2)c1
InChIInChI=1S/C17H21N3O4/c1-22-15-7-12(8-16(9-15)23-2)17(21)19-13-10-18-20(11-13)14-3-5-24-6-4-14/h7-11,14H,3-6H2,1-2H3,(H,19,21)
InChIKeyAXXJXWPZWIEIOK-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.50
Rot. Bonds5

About 3,5-dimethoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide

3,5-dimethoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide (PubChem CID 71810179) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
PubChem CID71810179
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name3,5-dimethoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cnn(C3CCOCC3)c2)c1
InChIInChI=1S/C17H21N3O4/c1-22-15-7-12(8-16(9-15)23-2)17(21)19-13-10-18-20(11-13)14-3-5-24-6-4-14/h7-11,14H,3-6H2,1-2H3,(H,19,21)
InChIKeyAXXJXWPZWIEIOK-UHFFFAOYSA-N
XLogP2.50
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-triethoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
CID 90597650
4-bromo-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
CID 90597657
methyl 4-[[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]carbamoyl]benzoate
CID 97427996
N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-3-carboxamide
CID 71810228
1-(2-methoxyethyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 71810282
N-[1-(oxan-4-yl)pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 71810180
N-[1-(oxan-4-yl)pyrazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90597747
3-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]benzamide
CID 97428025
[1-(oxan-4-yl)pyrazol-4-yl]thiourea
CID 145069012
2,2,2-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide
CID 90597743
N-[1-(oxan-4-yl)pyrazol-4-yl]cyclopentanecarboxamide
CID 71810169
3-methoxy-1-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 97428103

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide (CID 71810179) is 3,5-dimethoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide is COc1cc(OC)cc(C(=O)Nc2cnn(C3CCOCC3)c2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide?
The InChIKey is AXXJXWPZWIEIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-22-15-7-12(8-16(9-15)23-2)17(21)19-13-10-18-20(11-13)14-3-5-24-6-4-14/h7-11,14H,3-6H2,1-2H3,(H,19,21).
What are the key properties of 3,5-dimethoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide?
3,5-dimethoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide has a molecular weight of 331.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 71810179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).