N-(1H-indazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C12H13N5O2S — CID 47267980

IUPACN-(1H-indazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C12H13N5O2S/c1-7-12(8(2)15-14-7)20(18,19)17-11-5-3-4-10-9(11)6-13-16-10/h3-6,17H,1-2H3,(H,13,16)(H,14,15)
InChIKeyPFEQRSNCZQYFKE-UHFFFAOYSA-N
MW291.34 g/mol
LogP1.70
Rot. Bonds3

About N-(1H-indazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(1H-indazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 47267980) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is N-(1H-indazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID47267980
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC NameN-(1H-indazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C12H13N5O2S/c1-7-12(8(2)15-14-7)20(18,19)17-11-5-3-4-10-9(11)6-13-16-10/h3-6,17H,1-2H3,(H,13,16)(H,14,15)
InChIKeyPFEQRSNCZQYFKE-UHFFFAOYSA-N
XLogP1.70
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-indazol-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 60579360
N-(1H-indazol-4-yl)-4-methylbenzenesulfonamide
CID 53356006
N-(3-bromo-2-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 81497421
2-amino-N-(1H-indazol-4-yl)benzenesulfonamide
CID 61113813
N-(1H-indol-7-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110867609
N-(2-ethylsulfanylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60934151
2-chloro-N-(1H-indazol-4-yl)benzenesulfonamide
CID 60524877
2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]acetic acid
CID 62535345
2,4-dibromo-N-(1H-indazol-4-yl)benzenesulfonamide
CID 61216548
N-(3-amino-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60972945
N-(4-methoxy-2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110777753
4-(1H-indazol-4-ylsulfamoyl)benzamide
CID 60524919

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(1H-indazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 47267980) is N-(1H-indazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1H-indazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(1H-indazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc2[nH]ncc12.
What is the InChIKey of N-(1H-indazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is PFEQRSNCZQYFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S/c1-7-12(8(2)15-14-7)20(18,19)17-11-5-3-4-10-9(11)6-13-16-10/h3-6,17H,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-(1H-indazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(1H-indazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 291.34 g/mol, XLogP of 1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47267980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).