N-(furan-2-ylmethyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide

C20H22N4O5S — CID 46270303

IUPACN-(furan-2-ylmethyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccco3)[nH]n2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C20H22N4O5S/c1-28-18-7-6-14(11-19(18)30(26,27)24-8-2-3-9-24)16-12-17(23-22-16)20(25)21-13-15-5-4-10-29-15/h4-7,10-12H,2-3,8-9,13H2,1H3,(H,21,25)(H,22,23)
InChIKeySWQMKWCKYLXJSA-UHFFFAOYSA-N
MW430.49 g/mol
LogP2.39
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide

N-(furan-2-ylmethyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 46270303) has the molecular formula C20H22N4O5S and a molecular weight of 430.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID46270303
Molecular FormulaC20H22N4O5S
Molecular Weight430.49 g/mol
Exact Mass430.13
IUPAC NameN-(furan-2-ylmethyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccco3)[nH]n2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C20H22N4O5S/c1-28-18-7-6-14(11-19(18)30(26,27)24-8-2-3-9-24)16-12-17(23-22-16)20(25)21-13-15-5-4-10-29-15/h4-7,10-12H,2-3,8-9,13H2,1H3,(H,21,25)(H,22,23)
InChIKeySWQMKWCKYLXJSA-UHFFFAOYSA-N
XLogP2.39
TPSA117.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 50751774
N-(4-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 50751739
3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide
CID 50751822
[3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 50751693
N-(3-chloro-4-fluorophenyl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 50751820
(3S)-N-(furan-2-ylmethyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1249721
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 19514521
N-benzyl-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 50751622
N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2335111
N-(furan-2-ylmethyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 4317747
3-(4-methoxy-3-sulfamoylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 50751661
N-[2-(furan-2-yl)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71702732

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide (CID 46270303) is N-(furan-2-ylmethyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCc3ccco3)[nH]n2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is SWQMKWCKYLXJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5S/c1-28-18-7-6-14(11-19(18)30(26,27)24-8-2-3-9-24)16-12-17(23-22-16)20(25)21-13-15-5-4-10-29-15/h4-7,10-12H,2-3,8-9,13H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-(furan-2-ylmethyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide?
N-(furan-2-ylmethyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 430.49 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46270303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).