N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-5-sulfonamide

C9H15N3O2S — CID 102693048

IUPACN-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-5-sulfonamide
SMILESCCN(CC1CC1)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H15N3O2S/c1-2-12(7-8-3-4-8)15(13,14)9-5-6-10-11-9/h5-6,8H,2-4,7H2,1H3,(H,10,11)
InChIKeySXRLUQGLVCLJME-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.83
Rot. Bonds5

About N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-5-sulfonamide

N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-5-sulfonamide (PubChem CID 102693048) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-5-sulfonamide
PubChem CID102693048
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-5-sulfonamide
SMILESCCN(CC1CC1)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H15N3O2S/c1-2-12(7-8-3-4-8)15(13,14)9-5-6-10-11-9/h5-6,8H,2-4,7H2,1H3,(H,10,11)
InChIKeySXRLUQGLVCLJME-UHFFFAOYSA-N
XLogP0.83
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(diethylamino)propyl]-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102995753
N-ethyl-N-[[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methyl]ethanamine
CID 102692300
N-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106609083
N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693045
ethyl 2-[ethyl(1H-pyrazol-5-ylsulfonyl)amino]acetate
CID 102692863
N-(2-cyanopropyl)-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102691107
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102693564
N-(2-aminoethyl)-N-propyl-1H-pyrazole-5-sulfonamide
CID 102690421
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693004
2-chloro-N-(cyclopropylmethyl)-N-ethylpyridine-4-sulfonamide
CID 63957203
N-piperidin-4-yl-N-propyl-1H-pyrazole-5-sulfonamide
CID 102693555
N-ethyl-N-(piperidin-4-ylmethyl)-1H-imidazole-5-sulfonamide
CID 79716580

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-5-sulfonamide (CID 102693048) is N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-5-sulfonamide is CCN(CC1CC1)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-5-sulfonamide?
The InChIKey is SXRLUQGLVCLJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-2-12(7-8-3-4-8)15(13,14)9-5-6-10-11-9/h5-6,8H,2-4,7H2,1H3,(H,10,11).
What are the key properties of N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-5-sulfonamide?
N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-5-sulfonamide has a molecular weight of 229.30 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).