3,5-dimethyl-N,N-bis(3-methylbutyl)-1H-pyrazole-4-sulfonamide

C15H29N3O2S — CID 60700329

IUPAC3,5-dimethyl-N,N-bis(3-methylbutyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C15H29N3O2S/c1-11(2)7-9-18(10-8-12(3)4)21(19,20)15-13(5)16-17-14(15)6/h11-12H,7-10H2,1-6H3,(H,16,17)
InChIKeyJKYBOMLBHGDQRP-UHFFFAOYSA-N
MW315.48 g/mol
LogP3.11
Rot. Bonds8

About 3,5-dimethyl-N,N-bis(3-methylbutyl)-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N,N-bis(3-methylbutyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60700329) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is 3,5-dimethyl-N,N-bis(3-methylbutyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N,N-bis(3-methylbutyl)-1H-pyrazole-4-sulfonamide
PubChem CID60700329
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC Name3,5-dimethyl-N,N-bis(3-methylbutyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C15H29N3O2S/c1-11(2)7-9-18(10-8-12(3)4)21(19,20)15-13(5)16-17-14(15)6/h11-12H,7-10H2,1-6H3,(H,16,17)
InChIKeyJKYBOMLBHGDQRP-UHFFFAOYSA-N
XLogP3.11
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-3,5-dimethyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 60960075
N,N-bis(2-cyanoethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 16767614
N-(3-amino-2-methylpropyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54987359
N-(3-hydroxybutyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 115901960
N-(2-aminoethyl)-3,5-dimethyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide
CID 28708027
N-(2-bromopropyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 80668082
N-(2-aminoethyl)-N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 55242170
N-(1-amino-2-methylpropan-2-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 62007842
3,5-dimethyl-N-[4-(3-methylbutylamino)phenyl]-1H-pyrazole-4-sulfonamide
CID 112985171
N-[1-(dimethylamino)-4-methylpentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 61273722
3,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60960289
N-[4-(dimethylamino)butan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54968744

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N,N-bis(3-methylbutyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N,N-bis(3-methylbutyl)-1H-pyrazole-4-sulfonamide (CID 60700329) is 3,5-dimethyl-N,N-bis(3-methylbutyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N,N-bis(3-methylbutyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N,N-bis(3-methylbutyl)-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N(CCC(C)C)CCC(C)C.
What is the InChIKey of 3,5-dimethyl-N,N-bis(3-methylbutyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is JKYBOMLBHGDQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-11(2)7-9-18(10-8-12(3)4)21(19,20)15-13(5)16-17-14(15)6/h11-12H,7-10H2,1-6H3,(H,16,17).
What are the key properties of 3,5-dimethyl-N,N-bis(3-methylbutyl)-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N,N-bis(3-methylbutyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 315.48 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N,N-bis(3-methylbutyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60700329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).