1-cyclopropyl-5-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)pyrrole-3-sulfonamide

C13H19N5O2S — CID 106015962

IUPAC1-cyclopropyl-5-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCc2cn[nH]c2)cn1C1CC1
InChIInChI=1S/C13H19N5O2S/c1-14-8-12-4-13(9-18(12)11-2-3-11)21(19,20)17-7-10-5-15-16-6-10/h4-6,9,11,14,17H,2-3,7-8H2,1H3,(H,15,16)
InChIKeyVVPGZDGUYCVWGS-UHFFFAOYSA-N
MW309.40 g/mol
LogP0.74
Rot. Bonds7

About 1-cyclopropyl-5-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)pyrrole-3-sulfonamide

1-cyclopropyl-5-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)pyrrole-3-sulfonamide (PubChem CID 106015962) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 1-cyclopropyl-5-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-5-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)pyrrole-3-sulfonamide
PubChem CID106015962
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name1-cyclopropyl-5-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCc2cn[nH]c2)cn1C1CC1
InChIInChI=1S/C13H19N5O2S/c1-14-8-12-4-13(9-18(12)11-2-3-11)21(19,20)17-7-10-5-15-16-6-10/h4-6,9,11,14,17H,2-3,7-8H2,1H3,(H,15,16)
InChIKeyVVPGZDGUYCVWGS-UHFFFAOYSA-N
XLogP0.74
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 20963879
N-[(1-benzyl-1H-pyrrol-2-yl)methyl]-1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 53000375
N,5-dimethyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 54929779
5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 61784105
2-(1-Methylpyrrol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazepane
CID 16337793
N-cyclopropyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 16674032
3,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 25596315
5-tert-butyl-N-methyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 56795223
N-cyclopropyl-1-methyl-N-((1-methyl-1H-pyrrol-2-yl)methyl)-1H-pyrazole-4-sulfonamide
CID 73167954
3-(2,5-Dimethylpyrrol-1-yl)sulfonyl-1-methylpyrazol-4-amine
CID 68377621
4,5-dimethyl-1H-pyrazole;pyridine-3-sulfonamide
CID 174901680
4,5-dimethyl-1H-pyrazole;pyridine-3-sulfonamide;dihydrochloride
CID 175324085

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)pyrrole-3-sulfonamide?
The IUPAC name of 1-cyclopropyl-5-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)pyrrole-3-sulfonamide (CID 106015962) is 1-cyclopropyl-5-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-cyclopropyl-5-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-cyclopropyl-5-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)pyrrole-3-sulfonamide is CNCc1cc(S(=O)(=O)NCc2cn[nH]c2)cn1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)pyrrole-3-sulfonamide?
The InChIKey is VVPGZDGUYCVWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-14-8-12-4-13(9-18(12)11-2-3-11)21(19,20)17-7-10-5-15-16-6-10/h4-6,9,11,14,17H,2-3,7-8H2,1H3,(H,15,16).
What are the key properties of 1-cyclopropyl-5-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)pyrrole-3-sulfonamide?
1-cyclopropyl-5-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)pyrrole-3-sulfonamide has a molecular weight of 309.40 g/mol, XLogP of 0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106015962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).