N-(cyclopropylmethyl)-N-propyl-1H-pyrazole-4-sulfonamide

C10H17N3O2S — CID 47267555

IUPACN-(cyclopropylmethyl)-N-propyl-1H-pyrazole-4-sulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H17N3O2S/c1-2-5-13(8-9-3-4-9)16(14,15)10-6-11-12-7-10/h6-7,9H,2-5,8H2,1H3,(H,11,12)
InChIKeyVKNJLMRGFMOLRE-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.22
Rot. Bonds6

About N-(cyclopropylmethyl)-N-propyl-1H-pyrazole-4-sulfonamide

N-(cyclopropylmethyl)-N-propyl-1H-pyrazole-4-sulfonamide (PubChem CID 47267555) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-propyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-propyl-1H-pyrazole-4-sulfonamide
PubChem CID47267555
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-(cyclopropylmethyl)-N-propyl-1H-pyrazole-4-sulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H17N3O2S/c1-2-5-13(8-9-3-4-9)16(14,15)10-6-11-12-7-10/h6-7,9H,2-5,8H2,1H3,(H,11,12)
InChIKeyVKNJLMRGFMOLRE-UHFFFAOYSA-N
XLogP1.22
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate
CID 47268116
N-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide
CID 23996210
ethyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate
CID 61008222
N-(cyclopropylmethyl)-4-ethyl-N-propylbenzenesulfonamide
CID 3449691
N-(cyclobutylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide
CID 62855891
N-butyl-N-(2-hydroxyethyl)-1H-pyrazole-4-sulfonamide
CID 60958525
N-butyl-N-(2-chloroethyl)-1H-pyrazole-4-sulfonamide
CID 63396636
N-(cyclopropylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide
CID 55353366
N-(cyclopropylmethyl)-4-pentan-3-yl-N-propylbenzenesulfonamide
CID 146213720
5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridine-3-sulfonamide
CID 79703113
N-(cyclopropylmethyl)-2,6-difluoro-N-propylbenzenesulfonamide
CID 78787052
3-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 115328827

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-propyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-N-propyl-1H-pyrazole-4-sulfonamide (CID 47267555) is N-(cyclopropylmethyl)-N-propyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-propyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-propyl-1H-pyrazole-4-sulfonamide is CCCN(CC1CC1)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(cyclopropylmethyl)-N-propyl-1H-pyrazole-4-sulfonamide?
The InChIKey is VKNJLMRGFMOLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-2-5-13(8-9-3-4-9)16(14,15)10-6-11-12-7-10/h6-7,9H,2-5,8H2,1H3,(H,11,12).
What are the key properties of N-(cyclopropylmethyl)-N-propyl-1H-pyrazole-4-sulfonamide?
N-(cyclopropylmethyl)-N-propyl-1H-pyrazole-4-sulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-propyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47267555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).