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

C17H14N4O3 — CID 166374781

IUPACN-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-pyridin-2-yl-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1cccc2c1OCCO2)c1cn[nH]c1-c1ccccn1
InChIInChI=1S/C17H14N4O3/c22-17(11-10-19-21-15(11)12-4-1-2-7-18-12)20-13-5-3-6-14-16(13)24-9-8-23-14/h1-7,10H,8-9H2,(H,19,21)(H,20,22)
InChIKeyQIQGGBLJSBGIEO-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.50
Rot. Bonds3

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

N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-pyridin-2-yl-1H-pyrazole-4-carboxamide (PubChem CID 166374781) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-pyridin-2-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-pyridin-2-yl-1H-pyrazole-4-carboxamide
PubChem CID166374781
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-pyridin-2-yl-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1cccc2c1OCCO2)c1cn[nH]c1-c1ccccn1
InChIInChI=1S/C17H14N4O3/c22-17(11-10-19-21-15(11)12-4-1-2-7-18-12)20-13-5-3-6-14-16(13)24-9-8-23-14/h1-7,10H,8-9H2,(H,19,21)(H,20,22)
InChIKeyQIQGGBLJSBGIEO-UHFFFAOYSA-N
XLogP2.50
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid;dihydrochloride
CID 121229973
N-(2-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 47455792
N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide
CID 154858973
N-(2-cyclopropyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 138021986
2-methoxy-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)benzamide
CID 146124376
4-methyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 166192549
N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide
CID 167744287
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-phenylimidazole-4-carboxamide
CID 75416226
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide
CID 154837830
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide
CID 154863063
2-fluoro-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-5-(trifluoromethyl)benzamide
CID 138989555
5-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 166233960

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-pyridin-2-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-pyridin-2-yl-1H-pyrazole-4-carboxamide (CID 166374781) is N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-pyridin-2-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-pyridin-2-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-pyridin-2-yl-1H-pyrazole-4-carboxamide is O=C(Nc1cccc2c1OCCO2)c1cn[nH]c1-c1ccccn1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-pyridin-2-yl-1H-pyrazole-4-carboxamide?
The InChIKey is QIQGGBLJSBGIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c22-17(11-10-19-21-15(11)12-4-1-2-7-18-12)20-13-5-3-6-14-16(13)24-9-8-23-14/h1-7,10H,8-9H2,(H,19,21)(H,20,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-pyridin-2-yl-1H-pyrazole-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-pyridin-2-yl-1H-pyrazole-4-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-pyridin-2-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 166374781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).