N-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-5-sulfonamide

C12H22N4O2S — CID 106609083

IUPACN-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-5-sulfonamide
SMILESCCCCN(CC1CCCN1)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C12H22N4O2S/c1-2-3-9-16(10-11-5-4-7-13-11)19(17,18)12-6-8-14-15-12/h6,8,11,13H,2-5,7,9-10H2,1H3,(H,14,15)
InChIKeyHNDMACARPWOVDF-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.95
Rot. Bonds7

About N-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-5-sulfonamide

N-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106609083) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-5-sulfonamide
PubChem CID106609083
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-5-sulfonamide
SMILESCCCCN(CC1CCCN1)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C12H22N4O2S/c1-2-3-9-16(10-11-5-4-7-13-11)19(17,18)12-6-8-14-15-12/h6,8,11,13H,2-5,7,9-10H2,1H3,(H,14,15)
InChIKeyHNDMACARPWOVDF-UHFFFAOYSA-N
XLogP0.95
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609175
3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609304
N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102693048
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide
CID 106609340
2-ethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide
CID 106608449
5-bromo-N-butyl-3-methyl-N-(pyrrolidin-2-ylmethyl)triazole-4-sulfonamide
CID 106609031
5-bromo-N-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106609210
N-(piperidin-2-ylmethyl)-N-propyl-1H-imidazole-5-sulfonamide
CID 106630692
N-butyl-N-(pyrrolidin-2-ylmethyl)prop-2-ene-1-sulfonamide
CID 106609362
N-butyl-1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106609116
2,4-dibromo-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608617
4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608397

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-5-sulfonamide (CID 106609083) is N-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-5-sulfonamide is CCCCN(CC1CCCN1)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is HNDMACARPWOVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-2-3-9-16(10-11-5-4-7-13-11)19(17,18)12-6-8-14-15-12/h6,8,11,13H,2-5,7,9-10H2,1H3,(H,14,15).
What are the key properties of N-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-5-sulfonamide?
N-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106609083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).