1-methyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride

C10H20ClN5O2S — CID 175713036

IUPAC1-methyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride
SMILESCN1CCC[C@@H](NNS(=O)(=O)c2cnn(C)c2)C1.Cl
InChIInChI=1S/C10H19N5O2S.ClH/c1-14-5-3-4-9(7-14)12-13-18(16,17)10-6-11-15(2)8-10;/h6,8-9,12-13H,3-5,7H2,1-2H3;1H/t9-;/m1./s1
InChIKeyCFADHJIDXHFQBG-SBSPUUFOSA-N
MW309.82 g/mol
LogP-0.28
Rot. Bonds4

About 1-methyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride

1-methyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride (PubChem CID 175713036) has the molecular formula C10H20ClN5O2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 1-methyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride.

Molecular Properties

Compound Name1-methyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride
PubChem CID175713036
Molecular FormulaC10H20ClN5O2S
Molecular Weight309.82 g/mol
Exact Mass309.10
IUPAC Name1-methyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride
SMILESCN1CCC[C@@H](NNS(=O)(=O)c2cnn(C)c2)C1.Cl
InChIInChI=1S/C10H19N5O2S.ClH/c1-14-5-3-4-9(7-14)12-13-18(16,17)10-6-11-15(2)8-10;/h6,8-9,12-13H,3-5,7H2,1-2H3;1H/t9-;/m1./s1
InChIKeyCFADHJIDXHFQBG-SBSPUUFOSA-N
XLogP-0.28
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride
CID 175713043
N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide
CID 99817441
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 51080618
1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazole-4-sulfonamide
CID 94081659
N-[1-(hydroxymethyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide
CID 62521953
N-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 115300352
cis-(1R,3S)-3-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321626
2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]acetic acid
CID 55105621
1-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide
CID 71806786
(3S)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidine;hydrochloride
CID 155389382
(1S)-1-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethanamine
CID 124553890
1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethanamine
CID 63853842

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride?
The IUPAC name of 1-methyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride (CID 175713036) is 1-methyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride.
What is the SMILES notation for 1-methyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride?
The canonical SMILES for 1-methyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride is CN1CCC[C@@H](NNS(=O)(=O)c2cnn(C)c2)C1.Cl.
What is the InChIKey of 1-methyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride?
The InChIKey is CFADHJIDXHFQBG-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H19N5O2S.ClH/c1-14-5-3-4-9(7-14)12-13-18(16,17)10-6-11-15(2)8-10;/h6,8-9,12-13H,3-5,7H2,1-2H3;1H/t9-;/m1./s1.
What are the key properties of 1-methyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride?
1-methyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride has a molecular weight of 309.82 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride is sourced from PubChem (CID 175713036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).