2-[5-(furan-2-yl)-1H-pyrazol-3-yl]-N-methylaniline;sulfur dioxide

C14H13N3O3S — CID 159364916

IUPAC2-[5-(furan-2-yl)-1H-pyrazol-3-yl]-N-methylaniline;sulfur dioxide
SMILESCNc1ccccc1-c1cc(-c2ccco2)[nH]n1.O=S=O
InChIInChI=1S/C14H13N3O.O2S/c1-15-11-6-3-2-5-10(11)12-9-13(17-16-12)14-7-4-8-18-14;1-3-2/h2-9,15H,1H3,(H,16,17);
InChIKeyLIZUBZYBNWOFRY-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.71
Rot. Bonds3

About 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]-N-methylaniline;sulfur dioxide

2-[5-(furan-2-yl)-1H-pyrazol-3-yl]-N-methylaniline;sulfur dioxide (PubChem CID 159364916) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]-N-methylaniline;sulfur dioxide.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-1H-pyrazol-3-yl]-N-methylaniline;sulfur dioxide
PubChem CID159364916
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name2-[5-(furan-2-yl)-1H-pyrazol-3-yl]-N-methylaniline;sulfur dioxide
SMILESCNc1ccccc1-c1cc(-c2ccco2)[nH]n1.O=S=O
InChIInChI=1S/C14H13N3O.O2S/c1-15-11-6-3-2-5-10(11)12-9-13(17-16-12)14-7-4-8-18-14;1-3-2/h2-9,15H,1H3,(H,16,17);
InChIKeyLIZUBZYBNWOFRY-UHFFFAOYSA-N
XLogP2.71
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenyl]-4-methylbenzamide
CID 122425162
2-[5-(furan-2-yl)-1H-pyrazol-3-yl]benzamide
CID 130376801
5-(furan-2-yl)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
CID 34564904
5-(furan-2-yl)-3-(3-methoxyphenyl)-1H-pyrazole
CID 73052635
2-(furan-2-yl)-N,4-dimethylaniline
CID 145268852
N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6626158
5-(furan-2-yl)-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119502872
2-(methylamino)-7-(1H-pyrazol-5-yl)cyclohepta-2,4,6-trien-1-one
CID 10750582
5-amino-3-(furan-2-yl)-1H-pyridazin-6-one
CID 51589117
5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
CID 25353049
N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 119498062
5-(furan-2-yl)-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-3-carboxamide
CID 5395130

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]-N-methylaniline;sulfur dioxide?
The IUPAC name of 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]-N-methylaniline;sulfur dioxide (CID 159364916) is 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]-N-methylaniline;sulfur dioxide.
What is the SMILES notation for 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]-N-methylaniline;sulfur dioxide?
The canonical SMILES for 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]-N-methylaniline;sulfur dioxide is CNc1ccccc1-c1cc(-c2ccco2)[nH]n1.O=S=O.
What is the InChIKey of 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]-N-methylaniline;sulfur dioxide?
The InChIKey is LIZUBZYBNWOFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O.O2S/c1-15-11-6-3-2-5-10(11)12-9-13(17-16-12)14-7-4-8-18-14;1-3-2/h2-9,15H,1H3,(H,16,17);.
What are the key properties of 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]-N-methylaniline;sulfur dioxide?
2-[5-(furan-2-yl)-1H-pyrazol-3-yl]-N-methylaniline;sulfur dioxide has a molecular weight of 303.34 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]-N-methylaniline;sulfur dioxide is sourced from PubChem (CID 159364916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).