N-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide

C11H9N3O3 — CID 19615052

IUPACN-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccn[nH]1
InChIInChI=1S/C11H9N3O3/c15-11(8-3-4-12-14-8)13-7-1-2-9-10(5-7)17-6-16-9/h1-5H,6H2,(H,12,14)(H,13,15)
InChIKeyCKTOIGIFQDBZMG-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.39
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide

N-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide (PubChem CID 19615052) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide
PubChem CID19615052
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC NameN-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccn[nH]1
InChIInChI=1S/C11H9N3O3/c15-11(8-3-4-12-14-8)13-7-1-2-9-10(5-7)17-6-16-9/h1-5H,6H2,(H,12,14)(H,13,15)
InChIKeyCKTOIGIFQDBZMG-UHFFFAOYSA-N
XLogP1.39
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 11837959
1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-nitro-1H-pyrazole-3-carboxamide
CID 5296155
N-(1,3-benzodioxol-5-yl)-3-pyrazol-1-ylpropanamide
CID 24790928
N-(3-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 903366
4-(1,3-Benzodioxol-5-ylcarbamothioylamino)-2-ethylpyrazole-3-carboxamide
CID 978066
N-(1,3-benzodioxol-5-yl)-4-chloro-1-methyl-1H-pyrazole-5-carboxamide
CID 6470895
N-(1,3-benzodioxol-5-yl)-2-methyl-3-pyrazolecarboxamide
CID 6470985
N-(2H-1,3-Benzodioxol-5-YL)-3-(3-methyl-1H-pyrazol-1-YL)propanamide
CID 24790951
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 1509911
N-(1,3-benzodioxol-5-yl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 154693104
N-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide
CID 155753658
N-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-3-carboxamide
CID 723660

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide (CID 19615052) is N-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1ccn[nH]1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is CKTOIGIFQDBZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c15-11(8-3-4-12-14-8)13-7-1-2-9-10(5-7)17-6-16-9/h1-5H,6H2,(H,12,14)(H,13,15).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide?
N-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 231.21 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19615052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).