N-(2-cyanopropyl)-N-ethyl-1H-pyrazole-5-sulfonamide

C9H14N4O2S — CID 102691107

IUPACN-(2-cyanopropyl)-N-ethyl-1H-pyrazole-5-sulfonamide
SMILESCCN(CC(C)C#N)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H14N4O2S/c1-3-13(7-8(2)6-10)16(14,15)9-4-5-11-12-9/h4-5,8H,3,7H2,1-2H3,(H,11,12)
InChIKeyABWZMQDOTGTWAT-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.58
Rot. Bonds5

About N-(2-cyanopropyl)-N-ethyl-1H-pyrazole-5-sulfonamide

N-(2-cyanopropyl)-N-ethyl-1H-pyrazole-5-sulfonamide (PubChem CID 102691107) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-1H-pyrazole-5-sulfonamide
PubChem CID102691107
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC NameN-(2-cyanopropyl)-N-ethyl-1H-pyrazole-5-sulfonamide
SMILESCCN(CC(C)C#N)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H14N4O2S/c1-3-13(7-8(2)6-10)16(14,15)9-4-5-11-12-9/h4-5,8H,3,7H2,1-2H3,(H,11,12)
InChIKeyABWZMQDOTGTWAT-UHFFFAOYSA-N
XLogP0.58
TPSA89.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyanomethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide
CID 102691142
N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102693048
N-[3-(diethylamino)propyl]-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102995753
4-chloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 47387960
N-(2-cyanopropyl)-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 47387971
3,5-dichloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 47387979
N-(2-cyanopropyl)-N-ethyl-3-methylbenzenesulfonamide
CID 47387967
N-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 102690466
2,5-dichloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 47387966
N-(2-aminoethyl)-N-propyl-1H-pyrazole-5-sulfonamide
CID 102690421
2-amino-N-(2-cyanopropyl)-N-ethyl-4-methylbenzenesulfonamide
CID 61138586
3-amino-N-(2-cyanopropyl)-N-ethyl-2,4-difluorobenzenesulfonamide
CID 107343312

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-1H-pyrazole-5-sulfonamide (CID 102691107) is N-(2-cyanopropyl)-N-ethyl-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-1H-pyrazole-5-sulfonamide is CCN(CC(C)C#N)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-1H-pyrazole-5-sulfonamide?
The InChIKey is ABWZMQDOTGTWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-3-13(7-8(2)6-10)16(14,15)9-4-5-11-12-9/h4-5,8H,3,7H2,1-2H3,(H,11,12).
What are the key properties of N-(2-cyanopropyl)-N-ethyl-1H-pyrazole-5-sulfonamide?
N-(2-cyanopropyl)-N-ethyl-1H-pyrazole-5-sulfonamide has a molecular weight of 242.30 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).