N-ethyl-N,3,5-trimethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-sulfonamide

C13H21N5O2S — CID 56827263

IUPACN-ethyl-N,3,5-trimethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-sulfonamide
SMILESCCN(C)S(=O)(=O)c1c(C)nn(CCn2cccn2)c1C
InChIInChI=1S/C13H21N5O2S/c1-5-16(4)21(19,20)13-11(2)15-18(12(13)3)10-9-17-8-6-7-14-17/h6-8H,5,9-10H2,1-4H3
InChIKeyISEVLCPLCMPXOG-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.04
Rot. Bonds6

About N-ethyl-N,3,5-trimethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-sulfonamide

N-ethyl-N,3,5-trimethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-sulfonamide (PubChem CID 56827263) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-ethyl-N,3,5-trimethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N,3,5-trimethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-sulfonamide
PubChem CID56827263
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC NameN-ethyl-N,3,5-trimethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-sulfonamide
SMILESCCN(C)S(=O)(=O)c1c(C)nn(CCn2cccn2)c1C
InChIInChI=1S/C13H21N5O2S/c1-5-16(4)21(19,20)13-11(2)15-18(12(13)3)10-9-17-8-6-7-14-17/h6-8H,5,9-10H2,1-4H3
InChIKeyISEVLCPLCMPXOG-UHFFFAOYSA-N
XLogP1.04
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 22203950
N-ethyl-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 29089488
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-1H-pyrazole-4-sulfonamide
CID 29089517
N-ethyl-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methyl-1H-pyrazole-4-sulfonamide
CID 29089522
N-ethyl-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 44822173
1-ethyl-N-[(5-propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 70712495
1,5-dimethyl-N-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1H-pyrazole-4-sulfonamide
CID 19614401
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 49670912
1-(difluoromethyl)-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide
CID 51853561
1,3,5-trimethyl-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1H-pyrazole-4-sulfonamide
CID 71808089
3,5-dimethyl-1-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrazole-4-sulfonamide
CID 75454447
4-(1H-1,2,3-triazol-1-yl)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 121151449

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,3,5-trimethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-ethyl-N,3,5-trimethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-sulfonamide (CID 56827263) is N-ethyl-N,3,5-trimethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-ethyl-N,3,5-trimethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-ethyl-N,3,5-trimethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-sulfonamide is CCN(C)S(=O)(=O)c1c(C)nn(CCn2cccn2)c1C.
What is the InChIKey of N-ethyl-N,3,5-trimethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-sulfonamide?
The InChIKey is ISEVLCPLCMPXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-5-16(4)21(19,20)13-11(2)15-18(12(13)3)10-9-17-8-6-7-14-17/h6-8H,5,9-10H2,1-4H3.
What are the key properties of N-ethyl-N,3,5-trimethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-sulfonamide?
N-ethyl-N,3,5-trimethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-sulfonamide has a molecular weight of 311.41 g/mol, XLogP of 1.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,3,5-trimethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 56827263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).