5-methoxy-N-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide

C20H19N3O4 — CID 75468501

IUPAC5-methoxy-N-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1cc(C(=O)Nc2c(C)cnn2-c2ccccc2)cc2c1OCCO2
InChIInChI=1S/C20H19N3O4/c1-13-12-21-23(15-6-4-3-5-7-15)19(13)22-20(24)14-10-16(25-2)18-17(11-14)26-8-9-27-18/h3-7,10-12H,8-9H2,1-2H3,(H,22,24)
InChIKeyRPVOYYWFBSAIFB-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.21
Rot. Bonds4

About 5-methoxy-N-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide

5-methoxy-N-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 75468501) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 5-methoxy-N-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
PubChem CID75468501
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name5-methoxy-N-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1cc(C(=O)Nc2c(C)cnn2-c2ccccc2)cc2c1OCCO2
InChIInChI=1S/C20H19N3O4/c1-13-12-21-23(15-6-4-3-5-7-15)19(13)22-20(24)14-10-16(25-2)18-17(11-14)26-8-9-27-18/h3-7,10-12H,8-9H2,1-2H3,(H,22,24)
InChIKeyRPVOYYWFBSAIFB-UHFFFAOYSA-N
XLogP3.21
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide
CID 75468504
3-(difluoromethoxy)-4-methoxy-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide
CID 75468505
5-methoxy-N-(4-pyrazol-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 39460731
N-(4-iodophenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777302
N-benzyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777041
4-methoxy-N-(4-methyl-1-phenylpyrazol-5-yl)-1-phenylpyrazole-3-carboxamide
CID 167751714
5-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 25468464
N-(5-chloro-2-methoxyphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777203
5-methoxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 30781226
5-methoxy-N'-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
CID 9366364
N-(4-methyl-1-phenylpyrazol-5-yl)pyridine-3-carboxamide
CID 99818669
2-[3-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 119231121

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The IUPAC name of 5-methoxy-N-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 75468501) is 5-methoxy-N-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide.
What is the SMILES notation for 5-methoxy-N-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The canonical SMILES for 5-methoxy-N-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide is COc1cc(C(=O)Nc2c(C)cnn2-c2ccccc2)cc2c1OCCO2.
What is the InChIKey of 5-methoxy-N-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The InChIKey is RPVOYYWFBSAIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13-12-21-23(15-6-4-3-5-7-15)19(13)22-20(24)14-10-16(25-2)18-17(11-14)26-8-9-27-18/h3-7,10-12H,8-9H2,1-2H3,(H,22,24).
What are the key properties of 5-methoxy-N-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
5-methoxy-N-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 75468501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).