3-cyclopropyl-N,1-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-5-sulfonamide

C15H20N4O2S — CID 155955079

IUPAC3-cyclopropyl-N,1-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-5-sulfonamide
SMILESCc1cccc(CN(C)S(=O)(=O)c2cc(C3CC3)nn2C)n1
InChIInChI=1S/C15H20N4O2S/c1-11-5-4-6-13(16-11)10-18(2)22(20,21)15-9-14(12-7-8-12)17-19(15)3/h4-6,9,12H,7-8,10H2,1-3H3
InChIKeyLJBQRGXXKRQZMW-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.82
Rot. Bonds5

About 3-cyclopropyl-N,1-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-5-sulfonamide

3-cyclopropyl-N,1-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-5-sulfonamide (PubChem CID 155955079) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 3-cyclopropyl-N,1-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-5-sulfonamide.

Molecular Properties

Compound Name3-cyclopropyl-N,1-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-5-sulfonamide
PubChem CID155955079
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name3-cyclopropyl-N,1-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-5-sulfonamide
SMILESCc1cccc(CN(C)S(=O)(=O)c2cc(C3CC3)nn2C)n1
InChIInChI=1S/C15H20N4O2S/c1-11-5-4-6-13(16-11)10-18(2)22(20,21)15-9-14(12-7-8-12)17-19(15)3/h4-6,9,12H,7-8,10H2,1-3H3
InChIKeyLJBQRGXXKRQZMW-UHFFFAOYSA-N
XLogP1.82
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N,1-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-5-sulfonamide?
The IUPAC name of 3-cyclopropyl-N,1-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-5-sulfonamide (CID 155955079) is 3-cyclopropyl-N,1-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-5-sulfonamide.
What is the SMILES notation for 3-cyclopropyl-N,1-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-5-sulfonamide?
The canonical SMILES for 3-cyclopropyl-N,1-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-5-sulfonamide is Cc1cccc(CN(C)S(=O)(=O)c2cc(C3CC3)nn2C)n1.
What is the InChIKey of 3-cyclopropyl-N,1-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-5-sulfonamide?
The InChIKey is LJBQRGXXKRQZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-11-5-4-6-13(16-11)10-18(2)22(20,21)15-9-14(12-7-8-12)17-19(15)3/h4-6,9,12H,7-8,10H2,1-3H3.
What are the key properties of 3-cyclopropyl-N,1-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-5-sulfonamide?
3-cyclopropyl-N,1-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-5-sulfonamide has a molecular weight of 320.42 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N,1-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-5-sulfonamide is sourced from PubChem (CID 155955079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).