1-ethyl-3-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide

C14H23N5O2S — CID 51853484

IUPAC1-ethyl-3-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC[C@H](C)Cn2nccc2C)c(C)n1
InChIInChI=1S/C14H23N5O2S/c1-5-18-10-14(13(4)17-18)22(20,21)16-8-11(2)9-19-12(3)6-7-15-19/h6-7,10-11,16H,5,8-9H2,1-4H3/t11-/m0/s1
InChIKeyZZGURFJLLNWWSN-NSHDSACASA-N
MW325.44 g/mol
LogP1.33
Rot. Bonds7

About 1-ethyl-3-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide

1-ethyl-3-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide (PubChem CID 51853484) has the molecular formula C14H23N5O2S and a molecular weight of 325.44 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
PubChem CID51853484
Molecular FormulaC14H23N5O2S
Molecular Weight325.44 g/mol
Exact Mass325.16
IUPAC Name1-ethyl-3-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC[C@H](C)Cn2nccc2C)c(C)n1
InChIInChI=1S/C14H23N5O2S/c1-5-18-10-14(13(4)17-18)22(20,21)16-8-11(2)9-19-12(3)6-7-15-19/h6-7,10-11,16H,5,8-9H2,1-4H3/t11-/m0/s1
InChIKeyZZGURFJLLNWWSN-NSHDSACASA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide (CID 51853484) is 1-ethyl-3-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC[C@H](C)Cn2nccc2C)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide?
The InChIKey is ZZGURFJLLNWWSN-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N5O2S/c1-5-18-10-14(13(4)17-18)22(20,21)16-8-11(2)9-19-12(3)6-7-15-19/h6-7,10-11,16H,5,8-9H2,1-4H3/t11-/m0/s1.
What are the key properties of 1-ethyl-3-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide?
1-ethyl-3-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide has a molecular weight of 325.44 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 51853484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).