N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide

C14H21N5O2S — CID 91911666

IUPACN-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCc2ncc(C)n2C2CC2)cn1
InChIInChI=1S/C14H21N5O2S/c1-3-18-10-13(9-16-18)22(20,21)17-7-6-14-15-8-11(2)19(14)12-4-5-12/h8-10,12,17H,3-7H2,1-2H3
InChIKeyKEWKQMIIXDQWNN-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.26
Rot. Bonds7

About N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide

N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide (PubChem CID 91911666) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide
PubChem CID91911666
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC NameN-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCc2ncc(C)n2C2CC2)cn1
InChIInChI=1S/C14H21N5O2S/c1-3-18-10-13(9-16-18)22(20,21)17-7-6-14-15-8-11(2)19(14)12-4-5-12/h8-10,12,17H,3-7H2,1-2H3
InChIKeyKEWKQMIIXDQWNN-UHFFFAOYSA-N
XLogP1.26
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-ethylpyrazole-4-sulfonamide
CID 19680759
1-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 122567250
N-[(5-bromopyrimidin-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide
CID 154787180
1-ethyl-N-(3-ethylpent-1-yn-3-yl)pyrazole-4-sulfonamide
CID 19684163
1-ethyl-N-[4-(ethylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 22203400
1-ethyl-N-[2-(4-ethylmorpholin-2-yl)ethyl]pyrazole-4-sulfonamide
CID 56749618
1-(2-aminoethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 106017894
1-[2-(methylamino)ethyl]-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 106017953
1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 19683256
1-[2-(methylamino)ethyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 106064162
1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-4-sulfonamide
CID 19582268
N-(2-adamantyl)-1-ethylpyrazole-4-sulfonamide
CID 17022471

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide (CID 91911666) is N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCCc2ncc(C)n2C2CC2)cn1.
What is the InChIKey of N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide?
The InChIKey is KEWKQMIIXDQWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-3-18-10-13(9-16-18)22(20,21)17-7-6-14-15-8-11(2)19(14)12-4-5-12/h8-10,12,17H,3-7H2,1-2H3.
What are the key properties of N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide?
N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide has a molecular weight of 323.42 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 91911666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).