3,4,5-trimethoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide

C19H25N3O5 — CID 121145179

IUPAC3,4,5-trimethoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
SMILESCOc1cc(C(=O)Nc2cnn(CC3CCCCO3)c2)cc(OC)c1OC
InChIInChI=1S/C19H25N3O5/c1-24-16-8-13(9-17(25-2)18(16)26-3)19(23)21-14-10-20-22(11-14)12-15-6-4-5-7-27-15/h8-11,15H,4-7,12H2,1-3H3,(H,21,23)
InChIKeyMBJOYSUZIJWNRH-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.73
Rot. Bonds7

About 3,4,5-trimethoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide

3,4,5-trimethoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide (PubChem CID 121145179) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
PubChem CID121145179
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name3,4,5-trimethoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
SMILESCOc1cc(C(=O)Nc2cnn(CC3CCCCO3)c2)cc(OC)c1OC
InChIInChI=1S/C19H25N3O5/c1-24-16-8-13(9-17(25-2)18(16)26-3)19(23)21-14-10-20-22(11-14)12-15-6-4-5-7-27-15/h8-11,15H,4-7,12H2,1-3H3,(H,21,23)
InChIKeyMBJOYSUZIJWNRH-UHFFFAOYSA-N
XLogP2.73
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 86999899
2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121145156
2-bromo-5-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145129
3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 136524086
4-chloro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145185
2,5-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]furan-3-carboxamide
CID 119099745
3-(dimethylamino)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 129356187
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 129354391
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 129354398
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]indolizine-2-carboxamide
CID 129355829
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide
CID 129356006

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide (CID 121145179) is 3,4,5-trimethoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide is COc1cc(C(=O)Nc2cnn(CC3CCCCO3)c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide?
The InChIKey is MBJOYSUZIJWNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-24-16-8-13(9-17(25-2)18(16)26-3)19(23)21-14-10-20-22(11-14)12-15-6-4-5-7-27-15/h8-11,15H,4-7,12H2,1-3H3,(H,21,23).
What are the key properties of 3,4,5-trimethoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide?
3,4,5-trimethoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide has a molecular weight of 375.43 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 121145179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).