4-[(cyclopropylamino)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide

C12H18N6O2S — CID 106064942

IUPAC4-[(cyclopropylamino)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide
SMILESCn1nccc1CNS(=O)(=O)c1[nH]ncc1CNC1CC1
InChIInChI=1S/C12H18N6O2S/c1-18-11(4-5-15-18)8-16-21(19,20)12-9(7-14-17-12)6-13-10-2-3-10/h4-5,7,10,13,16H,2-3,6,8H2,1H3,(H,14,17)
InChIKeyUJMQLYOOXYCRIW-UHFFFAOYSA-N
MW310.38 g/mol
LogP-0.13
Rot. Bonds7

About 4-[(cyclopropylamino)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide

4-[(cyclopropylamino)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide (PubChem CID 106064942) has the molecular formula C12H18N6O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide
PubChem CID106064942
Molecular FormulaC12H18N6O2S
Molecular Weight310.38 g/mol
Exact Mass310.12
IUPAC Name4-[(cyclopropylamino)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide
SMILESCn1nccc1CNS(=O)(=O)c1[nH]ncc1CNC1CC1
InChIInChI=1S/C12H18N6O2S/c1-18-11(4-5-15-18)8-16-21(19,20)12-9(7-14-17-12)6-13-10-2-3-10/h4-5,7,10,13,16H,2-3,6,8H2,1H3,(H,14,17)
InChIKeyUJMQLYOOXYCRIW-UHFFFAOYSA-N
XLogP-0.13
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(cyclopropylamino)methyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 106016185
4-[(cyclopropylamino)methyl]-N-(3-methylbutyl)-1H-pyrazole-5-sulfonamide
CID 106059009
4-[(cyclopropylamino)methyl]-N-pentyl-1H-pyrazole-5-sulfonamide
CID 106058108
4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)-1H-pyrazole-5-sulfonamide
CID 106016868
N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 47372067
4-[(cyclopropylamino)methyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 106383916
4-[(cyclopropylamino)methyl]-N-(3-methyl-4-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 106065426
4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)-1H-pyrazole-5-sulfonamide
CID 106028316
4-[(cyclopropylamino)methyl]-N-(2,2-dimethylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106070970
4-[(cyclopropylamino)methyl]-N-(2-methylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106064191
4-[(cyclopropylamino)methyl]-N-(1,4-dithian-2-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106078345
4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 62320335

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide (CID 106064942) is 4-[(cyclopropylamino)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide is Cn1nccc1CNS(=O)(=O)c1[nH]ncc1CNC1CC1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is UJMQLYOOXYCRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2S/c1-18-11(4-5-15-18)8-16-21(19,20)12-9(7-14-17-12)6-13-10-2-3-10/h4-5,7,10,13,16H,2-3,6,8H2,1H3,(H,14,17).
What are the key properties of 4-[(cyclopropylamino)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide?
4-[(cyclopropylamino)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of -0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106064942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).