5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide

C20H19N3O4 — CID 17457550

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cn[nH]c2-c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H19N3O4/c1-2-25-15-6-4-14(5-7-15)22-20(24)16-12-21-23-19(16)13-3-8-17-18(11-13)27-10-9-26-17/h3-8,11-12H,2,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyKSQVFBMGHCPDIK-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.50
Rot. Bonds5

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 17457550) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide
PubChem CID17457550
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cn[nH]c2-c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H19N3O4/c1-2-25-15-6-4-14(5-7-15)22-20(24)16-12-21-23-19(16)13-3-8-17-18(11-13)27-10-9-26-17/h3-8,11-12H,2,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyKSQVFBMGHCPDIK-UHFFFAOYSA-N
XLogP3.50
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]-1H-pyrazole-4-carbohydrazide
CID 24595255
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-iodo-4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 24648594
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 24610816
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-prop-2-ynyl-1H-pyrazole-4-carboxamide
CID 24633339
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(furan-2-carbonylamino)phenyl]-1H-pyrazole-4-carboxamide
CID 24620605
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(ethylamino)-1-oxopropan-2-yl]-1H-pyrazole-4-carboxamide
CID 24595734
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 51645764
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 51645765
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1H-pyrazole-4-carboxamide
CID 24594631
2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 43952781
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(furan-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 94566157
N-[(4-ethoxyphenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 71824423

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide (CID 17457550) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide is CCOc1ccc(NC(=O)c2cn[nH]c2-c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is KSQVFBMGHCPDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-2-25-15-6-4-14(5-7-15)22-20(24)16-12-21-23-19(16)13-3-8-17-18(11-13)27-10-9-26-17/h3-8,11-12H,2,9-10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 17457550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).