1-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)imidazole-4-sulfonamide

C14H21N5O2S — CID 91816999

IUPAC1-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2cnn3c2CCCC3)nc1C
InChIInChI=1S/C14H21N5O2S/c1-3-18-10-14(17-11(18)2)22(20,21)16-9-12-8-15-19-7-5-4-6-13(12)19/h8,10,16H,3-7,9H2,1-2H3
InChIKeyORXYYXCCDGYGQI-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.22
Rot. Bonds5

About 1-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)imidazole-4-sulfonamide

1-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)imidazole-4-sulfonamide (PubChem CID 91816999) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)imidazole-4-sulfonamide
PubChem CID91816999
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC Name1-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2cnn3c2CCCC3)nc1C
InChIInChI=1S/C14H21N5O2S/c1-3-18-10-14(17-11(18)2)22(20,21)16-9-12-8-15-19-7-5-4-6-13(12)19/h8,10,16H,3-7,9H2,1-2H3
InChIKeyORXYYXCCDGYGQI-UHFFFAOYSA-N
XLogP1.22
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)imidazole-4-sulfonamide (CID 91816999) is 1-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)imidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCc2cnn3c2CCCC3)nc1C.
What is the InChIKey of 1-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)imidazole-4-sulfonamide?
The InChIKey is ORXYYXCCDGYGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-3-18-10-14(17-11(18)2)22(20,21)16-9-12-8-15-19-7-5-4-6-13(12)19/h8,10,16H,3-7,9H2,1-2H3.
What are the key properties of 1-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)imidazole-4-sulfonamide?
1-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)imidazole-4-sulfonamide has a molecular weight of 323.42 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 91816999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).