N-(furan-2-ylmethyl)-1-(3-hydroxypropyl)-N,3,5-trimethylpyrazole-4-sulfonamide

C14H21N3O4S — CID 110892021

IUPACN-(furan-2-ylmethyl)-1-(3-hydroxypropyl)-N,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(CCCO)c(C)c1S(=O)(=O)N(C)Cc1ccco1
InChIInChI=1S/C14H21N3O4S/c1-11-14(12(2)17(15-11)7-5-8-18)22(19,20)16(3)10-13-6-4-9-21-13/h4,6,9,18H,5,7-8,10H2,1-3H3
InChIKeyYTNDTMAVZILCMV-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.30
Rot. Bonds7

About N-(furan-2-ylmethyl)-1-(3-hydroxypropyl)-N,3,5-trimethylpyrazole-4-sulfonamide

N-(furan-2-ylmethyl)-1-(3-hydroxypropyl)-N,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 110892021) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(3-hydroxypropyl)-N,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(3-hydroxypropyl)-N,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID110892021
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC NameN-(furan-2-ylmethyl)-1-(3-hydroxypropyl)-N,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(CCCO)c(C)c1S(=O)(=O)N(C)Cc1ccco1
InChIInChI=1S/C14H21N3O4S/c1-11-14(12(2)17(15-11)7-5-8-18)22(19,20)16(3)10-13-6-4-9-21-13/h4,6,9,18H,5,7-8,10H2,1-3H3
InChIKeyYTNDTMAVZILCMV-UHFFFAOYSA-N
XLogP1.30
TPSA88.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-bromophenyl)methyl]-N-(furan-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide
CID 36660020
N-(4-fluorophenyl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 36660035
2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 43044139
N-(furan-2-ylmethyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide
CID 17490202
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 17402856
N-[1-(1-benzofuran-2-yl)ethyl]-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 17400356
N-(furan-2-ylmethyl)-N,3,5-trimethyl-1-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyrazole-4-sulfonamide
CID 45354452
N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 7937948
4-[furan-2-ylmethyl(methyl)amino]butan-1-ol
CID 43527145
N-(1,3-benzodioxol-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide
CID 45356004
N-(furan-2-ylmethyl)-N,1,2,5-tetramethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945518
1-[1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide
CID 42920983

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(3-hydroxypropyl)-N,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(3-hydroxypropyl)-N,3,5-trimethylpyrazole-4-sulfonamide (CID 110892021) is N-(furan-2-ylmethyl)-1-(3-hydroxypropyl)-N,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(3-hydroxypropyl)-N,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(3-hydroxypropyl)-N,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(CCCO)c(C)c1S(=O)(=O)N(C)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(3-hydroxypropyl)-N,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is YTNDTMAVZILCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-11-14(12(2)17(15-11)7-5-8-18)22(19,20)16(3)10-13-6-4-9-21-13/h4,6,9,18H,5,7-8,10H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-1-(3-hydroxypropyl)-N,3,5-trimethylpyrazole-4-sulfonamide?
N-(furan-2-ylmethyl)-1-(3-hydroxypropyl)-N,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 327.41 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(3-hydroxypropyl)-N,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 110892021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).