N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide

C11H17N5O2S — CID 112695660

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2cc(C(C)(C)C)[nH]n2)cn1
InChIInChI=1S/C11H17N5O2S/c1-11(2,3)9-5-10(14-13-9)15-19(17,18)8-6-12-16(4)7-8/h5-7H,1-4H3,(H2,13,14,15)
InChIKeyLQYISDHGBYMFBT-UHFFFAOYSA-N
MW283.36 g/mol
LogP1.24
Rot. Bonds3

About N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide (PubChem CID 112695660) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide
PubChem CID112695660
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2cc(C(C)(C)C)[nH]n2)cn1
InChIInChI=1S/C11H17N5O2S/c1-11(2,3)9-5-10(14-13-9)15-19(17,18)8-6-12-16(4)7-8/h5-7H,1-4H3,(H2,13,14,15)
InChIKeyLQYISDHGBYMFBT-UHFFFAOYSA-N
XLogP1.24
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide
CID 112699565
N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 3288654
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide
CID 104616984
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide
CID 3830785
4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616993
N-(5-tert-butyl-1H-pyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide
CID 3256250
N-(4-chloro-2-pyridinyl)-1-methylpyrazole-4-sulfonamide
CID 71972209
N-(5-amino-2-pyridinyl)-1-methylpyrazole-4-sulfonamide
CID 62062956
N-(5-tert-butyl-1H-pyrazol-3-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide
CID 56793124
5-tert-butyl-3-(diethylsulfamoylamino)-1H-pyrazole
CID 113258114
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 115687613
N-[5-(aminomethyl)-2-pyridinyl]-1-methylpyrazole-4-sulfonamide
CID 62353719

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide (CID 112695660) is N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2cc(C(C)(C)C)[nH]n2)cn1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is LQYISDHGBYMFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-11(2,3)9-5-10(14-13-9)15-19(17,18)8-6-12-16(4)7-8/h5-7H,1-4H3,(H2,13,14,15).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 283.36 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 112695660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).