N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide

C17H23N5O3S — CID 122266192

IUPACN-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)NCC(c1ccco1)n1cccn1
InChIInChI=1S/C17H23N5O3S/c1-12(2)22-14(4)17(13(3)20-22)26(23,24)19-11-15(16-7-5-10-25-16)21-9-6-8-18-21/h5-10,12,15,19H,11H2,1-4H3
InChIKeyDHAHFNNYASKJJG-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.44
Rot. Bonds7

About N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide

N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 122266192) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID122266192
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC NameN-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)NCC(c1ccco1)n1cccn1
InChIInChI=1S/C17H23N5O3S/c1-12(2)22-14(4)17(13(3)20-22)26(23,24)19-11-15(16-7-5-10-25-16)21-9-6-8-18-21/h5-10,12,15,19H,11H2,1-4H3
InChIKeyDHAHFNNYASKJJG-UHFFFAOYSA-N
XLogP2.44
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-bromo-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]methanesulfonamide
CID 122266102
5-ethyl-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]thiophene-2-sulfonamide
CID 122266119
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 122266139
3-fluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzenesulfonamide
CID 122266105
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]quinoline-8-sulfonamide
CID 122266153
methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate
CID 122266198
N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 124759678
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-methylbutanamide
CID 122265939
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-2,2-diphenylacetamide
CID 122266052
1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
CID 51853642
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(4-methylphenyl)oxamide
CID 122266215
3,5-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 131889585

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide (CID 122266192) is N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide is Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCC(c1ccco1)n1cccn1.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is DHAHFNNYASKJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-12(2)22-14(4)17(13(3)20-22)26(23,24)19-11-15(16-7-5-10-25-16)21-9-6-8-18-21/h5-10,12,15,19H,11H2,1-4H3.
What are the key properties of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide?
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 377.47 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 122266192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).