4-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-5-sulfonamide

C9H12N6O2S — CID 106088621

IUPAC4-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)Nc1cncnc1
InChIInChI=1S/C9H12N6O2S/c1-10-2-7-3-13-14-9(7)18(16,17)15-8-4-11-6-12-5-8/h3-6,10,15H,2H2,1H3,(H,13,14)
InChIKeyMVCVSOZDCYTBBN-UHFFFAOYSA-N
MW268.30 g/mol
LogP-0.28
Rot. Bonds5

About 4-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-5-sulfonamide

4-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-5-sulfonamide (PubChem CID 106088621) has the molecular formula C9H12N6O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-5-sulfonamide
PubChem CID106088621
Molecular FormulaC9H12N6O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC Name4-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)Nc1cncnc1
InChIInChI=1S/C9H12N6O2S/c1-10-2-7-3-13-14-9(7)18(16,17)15-8-4-11-6-12-5-8/h3-6,10,15H,2H2,1H3,(H,13,14)
InChIKeyMVCVSOZDCYTBBN-UHFFFAOYSA-N
XLogP-0.28
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106060777
N-(4-bromo-3,5-dimethylphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106087341
4-(methylaminomethyl)-N-(6-methyl-3-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 106073192
N-(4-bromo-3-methylphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106058544
N-[3-(dimethylamino)phenyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106073945
N-(3-fluoro-4-pyridinyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106090077
4-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrazole-5-sulfonamide
CID 102915821
N-(5-chloro-2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106030354
4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide
CID 106058193
N-(5-bromo-2-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106056684
N-(5-bromo-2,4-difluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106087034
N-(5-bromo-2-methoxyphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106052104

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-5-sulfonamide (CID 106088621) is 4-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-5-sulfonamide is CNCc1cn[nH]c1S(=O)(=O)Nc1cncnc1.
What is the InChIKey of 4-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-5-sulfonamide?
The InChIKey is MVCVSOZDCYTBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S/c1-10-2-7-3-13-14-9(7)18(16,17)15-8-4-11-6-12-5-8/h3-6,10,15H,2H2,1H3,(H,13,14).
What are the key properties of 4-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-5-sulfonamide?
4-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-5-sulfonamide has a molecular weight of 268.30 g/mol, XLogP of -0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106088621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).