N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-methylfuran-2-carboxamide

C16H13N3O4 — CID 75422884

IUPACN-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2[nH]ncc2-c2ccc3c(c2)OCO3)o1
InChIInChI=1S/C16H13N3O4/c1-9-2-4-13(23-9)16(20)18-15-11(7-17-19-15)10-3-5-12-14(6-10)22-8-21-12/h2-7H,8H2,1H3,(H2,17,18,19,20)
InChIKeyCUSWAEWELYYJAU-UHFFFAOYSA-N
MW311.30 g/mol
LogP2.96
Rot. Bonds3

About N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-methylfuran-2-carboxamide

N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-methylfuran-2-carboxamide (PubChem CID 75422884) has the molecular formula C16H13N3O4 and a molecular weight of 311.30 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-methylfuran-2-carboxamide
PubChem CID75422884
Molecular FormulaC16H13N3O4
Molecular Weight311.30 g/mol
Exact Mass311.09
IUPAC NameN-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2[nH]ncc2-c2ccc3c(c2)OCO3)o1
InChIInChI=1S/C16H13N3O4/c1-9-2-4-13(23-9)16(20)18-15-11(7-17-19-15)10-3-5-12-14(6-10)22-8-21-12/h2-7H,8H2,1H3,(H2,17,18,19,20)
InChIKeyCUSWAEWELYYJAU-UHFFFAOYSA-N
XLogP2.96
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-2-(cyclopropylmethylamino)acetamide
CID 119806598
N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-fluoropyridine-3-carboxamide
CID 122143847
N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-benzofuran-3-carboxamide
CID 71870516
(2S,4S)-N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636546
N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 122149889
N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119806603
N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 154758657
5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
CID 61022740
N-(1,3-benzodioxol-5-ylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxamide
CID 17438402
4-(1,3-benzodioxol-5-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 59805786
N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 27648507
5-(1,3-benzodioxol-5-yl)-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 46087404

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-methylfuran-2-carboxamide (CID 75422884) is N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)Nc2[nH]ncc2-c2ccc3c(c2)OCO3)o1.
What is the InChIKey of N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-methylfuran-2-carboxamide?
The InChIKey is CUSWAEWELYYJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4/c1-9-2-4-13(23-9)16(20)18-15-11(7-17-19-15)10-3-5-12-14(6-10)22-8-21-12/h2-7H,8H2,1H3,(H2,17,18,19,20).
What are the key properties of N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-methylfuran-2-carboxamide?
N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-methylfuran-2-carboxamide has a molecular weight of 311.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 75422884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).