N-[1-(dimethylamino)-4-methylpentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C13H26N4O2S — CID 61273722

IUPACN-[1-(dimethylamino)-4-methylpentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC(CC(C)C)CN(C)C
InChIInChI=1S/C13H26N4O2S/c1-9(2)7-12(8-17(5)6)16-20(18,19)13-10(3)14-15-11(13)4/h9,12,16H,7-8H2,1-6H3,(H,14,15)
InChIKeyMDIQMSNUHNDBGX-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.28
Rot. Bonds7

About N-[1-(dimethylamino)-4-methylpentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[1-(dimethylamino)-4-methylpentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 61273722) has the molecular formula C13H26N4O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[1-(dimethylamino)-4-methylpentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID61273722
Molecular FormulaC13H26N4O2S
Molecular Weight302.44 g/mol
Exact Mass302.18
IUPAC NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC(CC(C)C)CN(C)C
InChIInChI=1S/C13H26N4O2S/c1-9(2)7-12(8-17(5)6)16-20(18,19)13-10(3)14-15-11(13)4/h9,12,16H,7-8H2,1-6H3,(H,14,15)
InChIKeyMDIQMSNUHNDBGX-UHFFFAOYSA-N
XLogP1.28
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylamino)butan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54968744
N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 103918614
3,5-dimethyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 43091250
N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 79027745
N-[2-(dimethylamino)ethyl]-3,5-dimethyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 60960075
3,5-dimethyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1H-pyrazole-4-sulfonamide
CID 110288425
N-hex-5-yn-3-yl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 115901958
3,5-dimethyl-N,N-bis(3-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 60700329
3,5-dimethyl-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-1H-pyrazole-4-sulfonamide
CID 110285637
N-(2-bromopropyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 80668082
1-(dimethylamino)-4-methyl-2-(sulfamoylamino)pentane
CID 112689006
3,5-dimethyl-N-[4-(3-methylbutylamino)phenyl]-1H-pyrazole-4-sulfonamide
CID 112985171

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 61273722) is N-[1-(dimethylamino)-4-methylpentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(dimethylamino)-4-methylpentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(dimethylamino)-4-methylpentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NC(CC(C)C)CN(C)C.
What is the InChIKey of N-[1-(dimethylamino)-4-methylpentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is MDIQMSNUHNDBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2S/c1-9(2)7-12(8-17(5)6)16-20(18,19)13-10(3)14-15-11(13)4/h9,12,16H,7-8H2,1-6H3,(H,14,15).
What are the key properties of N-[1-(dimethylamino)-4-methylpentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[1-(dimethylamino)-4-methylpentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 302.44 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-4-methylpentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61273722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).