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

C9H18ClN5O2S — CID 175713006

IUPAC1-methyl-N'-[(3S)-1-methylpyrrolidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride
SMILESCN1CC[C@H](NNS(=O)(=O)c2cnn(C)c2)C1.Cl
InChIInChI=1S/C9H17N5O2S.ClH/c1-13-4-3-8(6-13)11-12-17(15,16)9-5-10-14(2)7-9;/h5,7-8,11-12H,3-4,6H2,1-2H3;1H/t8-;/m0./s1
InChIKeyPLVKTEUMPBMBNW-QRPNPIFTSA-N
MW295.80 g/mol
LogP-0.67
Rot. Bonds4

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

1-methyl-N'-[(3S)-1-methylpyrrolidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride (PubChem CID 175713006) has the molecular formula C9H18ClN5O2S and a molecular weight of 295.80 g/mol. Its IUPAC name is 1-methyl-N'-[(3S)-1-methylpyrrolidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride.

Molecular Properties

Compound Name1-methyl-N'-[(3S)-1-methylpyrrolidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride
PubChem CID175713006
Molecular FormulaC9H18ClN5O2S
Molecular Weight295.80 g/mol
Exact Mass295.09
IUPAC Name1-methyl-N'-[(3S)-1-methylpyrrolidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride
SMILESCN1CC[C@H](NNS(=O)(=O)c2cnn(C)c2)C1.Cl
InChIInChI=1S/C9H17N5O2S.ClH/c1-13-4-3-8(6-13)11-12-17(15,16)9-5-10-14(2)7-9;/h5,7-8,11-12H,3-4,6H2,1-2H3;1H/t8-;/m0./s1
InChIKeyPLVKTEUMPBMBNW-QRPNPIFTSA-N
XLogP-0.67
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 5-0.67
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N'-[(3S)-1-methylpyrrolidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride?
The IUPAC name of 1-methyl-N'-[(3S)-1-methylpyrrolidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride (CID 175713006) is 1-methyl-N'-[(3S)-1-methylpyrrolidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride.
What is the SMILES notation for 1-methyl-N'-[(3S)-1-methylpyrrolidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride?
The canonical SMILES for 1-methyl-N'-[(3S)-1-methylpyrrolidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride is CN1CC[C@H](NNS(=O)(=O)c2cnn(C)c2)C1.Cl.
What is the InChIKey of 1-methyl-N'-[(3S)-1-methylpyrrolidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride?
The InChIKey is PLVKTEUMPBMBNW-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H17N5O2S.ClH/c1-13-4-3-8(6-13)11-12-17(15,16)9-5-10-14(2)7-9;/h5,7-8,11-12H,3-4,6H2,1-2H3;1H/t8-;/m0./s1.
What are the key properties of 1-methyl-N'-[(3S)-1-methylpyrrolidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride?
1-methyl-N'-[(3S)-1-methylpyrrolidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride has a molecular weight of 295.80 g/mol, XLogP of -0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-[(3S)-1-methylpyrrolidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride is sourced from PubChem (CID 175713006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).