1-propyl-N-(2-pyrazol-1-yl-3-pyridinyl)imidazole-4-sulfonamide

C14H16N6O2S — CID 71912996

IUPAC1-propyl-N-(2-pyrazol-1-yl-3-pyridinyl)imidazole-4-sulfonamide
SMILESCCCn1cnc(S(=O)(=O)Nc2cccnc2-n2cccn2)c1
InChIInChI=1S/C14H16N6O2S/c1-2-8-19-10-13(16-11-19)23(21,22)18-12-5-3-6-15-14(12)20-9-4-7-17-20/h3-7,9-11,18H,2,8H2,1H3
InChIKeyIDFMZXVNAJGGKM-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.67
Rot. Bonds6

About 1-propyl-N-(2-pyrazol-1-yl-3-pyridinyl)imidazole-4-sulfonamide

1-propyl-N-(2-pyrazol-1-yl-3-pyridinyl)imidazole-4-sulfonamide (PubChem CID 71912996) has the molecular formula C14H16N6O2S and a molecular weight of 332.39 g/mol. Its IUPAC name is 1-propyl-N-(2-pyrazol-1-yl-3-pyridinyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-propyl-N-(2-pyrazol-1-yl-3-pyridinyl)imidazole-4-sulfonamide
PubChem CID71912996
Molecular FormulaC14H16N6O2S
Molecular Weight332.39 g/mol
Exact Mass332.11
IUPAC Name1-propyl-N-(2-pyrazol-1-yl-3-pyridinyl)imidazole-4-sulfonamide
SMILESCCCn1cnc(S(=O)(=O)Nc2cccnc2-n2cccn2)c1
InChIInChI=1S/C14H16N6O2S/c1-2-8-19-10-13(16-11-19)23(21,22)18-12-5-3-6-15-14(12)20-9-4-7-17-20/h3-7,9-11,18H,2,8H2,1H3
InChIKeyIDFMZXVNAJGGKM-UHFFFAOYSA-N
XLogP1.67
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-(2-pyrazol-1-yl-3-pyridinyl)imidazole-4-sulfonamide?
The IUPAC name of 1-propyl-N-(2-pyrazol-1-yl-3-pyridinyl)imidazole-4-sulfonamide (CID 71912996) is 1-propyl-N-(2-pyrazol-1-yl-3-pyridinyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-propyl-N-(2-pyrazol-1-yl-3-pyridinyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-propyl-N-(2-pyrazol-1-yl-3-pyridinyl)imidazole-4-sulfonamide is CCCn1cnc(S(=O)(=O)Nc2cccnc2-n2cccn2)c1.
What is the InChIKey of 1-propyl-N-(2-pyrazol-1-yl-3-pyridinyl)imidazole-4-sulfonamide?
The InChIKey is IDFMZXVNAJGGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2S/c1-2-8-19-10-13(16-11-19)23(21,22)18-12-5-3-6-15-14(12)20-9-4-7-17-20/h3-7,9-11,18H,2,8H2,1H3.
What are the key properties of 1-propyl-N-(2-pyrazol-1-yl-3-pyridinyl)imidazole-4-sulfonamide?
1-propyl-N-(2-pyrazol-1-yl-3-pyridinyl)imidazole-4-sulfonamide has a molecular weight of 332.39 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-(2-pyrazol-1-yl-3-pyridinyl)imidazole-4-sulfonamide is sourced from PubChem (CID 71912996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).