N-[1-(1-ethylpyrazol-4-yl)propyl]-1-propan-2-ylimidazole-4-sulfonamide

C14H23N5O2S — CID 75431988

IUPACN-[1-(1-ethylpyrazol-4-yl)propyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCCC(NS(=O)(=O)c1cn(C(C)C)cn1)c1cnn(CC)c1
InChIInChI=1S/C14H23N5O2S/c1-5-13(12-7-16-19(6-2)8-12)17-22(20,21)14-9-18(10-15-14)11(3)4/h7-11,13,17H,5-6H2,1-4H3
InChIKeyLXBWVYGUZAAQNK-UHFFFAOYSA-N
MW325.44 g/mol
LogP2.11
Rot. Bonds7

About N-[1-(1-ethylpyrazol-4-yl)propyl]-1-propan-2-ylimidazole-4-sulfonamide

N-[1-(1-ethylpyrazol-4-yl)propyl]-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 75431988) has the molecular formula C14H23N5O2S and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[1-(1-ethylpyrazol-4-yl)propyl]-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(1-ethylpyrazol-4-yl)propyl]-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID75431988
Molecular FormulaC14H23N5O2S
Molecular Weight325.44 g/mol
Exact Mass325.16
IUPAC NameN-[1-(1-ethylpyrazol-4-yl)propyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCCC(NS(=O)(=O)c1cn(C(C)C)cn1)c1cnn(CC)c1
InChIInChI=1S/C14H23N5O2S/c1-5-13(12-7-16-19(6-2)8-12)17-22(20,21)14-9-18(10-15-14)11(3)4/h7-11,13,17H,5-6H2,1-4H3
InChIKeyLXBWVYGUZAAQNK-UHFFFAOYSA-N
XLogP2.11
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpyrazol-4-yl)propyl]-1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-[1-(1-ethylpyrazol-4-yl)propyl]-1-propan-2-ylimidazole-4-sulfonamide (CID 75431988) is N-[1-(1-ethylpyrazol-4-yl)propyl]-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-[1-(1-ethylpyrazol-4-yl)propyl]-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-[1-(1-ethylpyrazol-4-yl)propyl]-1-propan-2-ylimidazole-4-sulfonamide is CCC(NS(=O)(=O)c1cn(C(C)C)cn1)c1cnn(CC)c1.
What is the InChIKey of N-[1-(1-ethylpyrazol-4-yl)propyl]-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is LXBWVYGUZAAQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2S/c1-5-13(12-7-16-19(6-2)8-12)17-22(20,21)14-9-18(10-15-14)11(3)4/h7-11,13,17H,5-6H2,1-4H3.
What are the key properties of N-[1-(1-ethylpyrazol-4-yl)propyl]-1-propan-2-ylimidazole-4-sulfonamide?
N-[1-(1-ethylpyrazol-4-yl)propyl]-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 325.44 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpyrazol-4-yl)propyl]-1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 75431988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).