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

C12H22ClN5O2S — CID 175713043

IUPAC1-cyclopropyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride
SMILESCN1CCC[C@@H](NNS(=O)(=O)c2cnn(C3CC3)c2)C1.Cl
InChIInChI=1S/C12H21N5O2S.ClH/c1-16-6-2-3-10(8-16)14-15-20(18,19)12-7-13-17(9-12)11-4-5-11;/h7,9-11,14-15H,2-6,8H2,1H3;1H/t10-;/m1./s1
InChIKeyCWXQKFVPUQKJLY-HNCPQSOCSA-N
MW335.86 g/mol
LogP0.52
Rot. Bonds5

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

1-cyclopropyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride (PubChem CID 175713043) has the molecular formula C12H22ClN5O2S and a molecular weight of 335.86 g/mol. Its IUPAC name is 1-cyclopropyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride
PubChem CID175713043
Molecular FormulaC12H22ClN5O2S
Molecular Weight335.86 g/mol
Exact Mass335.12
IUPAC Name1-cyclopropyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride
SMILESCN1CCC[C@@H](NNS(=O)(=O)c2cnn(C3CC3)c2)C1.Cl
InChIInChI=1S/C12H21N5O2S.ClH/c1-16-6-2-3-10(8-16)14-15-20(18,19)12-7-13-17(9-12)11-4-5-11;/h7,9-11,14-15H,2-6,8H2,1H3;1H/t10-;/m1./s1
InChIKeyCWXQKFVPUQKJLY-HNCPQSOCSA-N
XLogP0.52
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 50.52
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

N-cyclohexyl-1-ethylpyrazole-4-sulfonamide
CID 6466244
N-cyclopentyl-1-ethyl-1H-pyrazole-4-sulfonamide
CID 19582858
1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine
CID 25247408
1-((1-methyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine hydrochloride
CID 53536972
N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-ethylpyrazole-4-sulfonamide
CID 56894259
1-(1-Propan-2-ylpyrazol-4-yl)sulfonylpiperidine
CID 71688427
3-Piperidin-1-yl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine
CID 71997606
N-(1-cycloheptyl-3-piperidinyl)-1-ethyl-1H-pyrazole-4-sulfonamide
CID 56896207
1-methyl-N-(2-pyrrolidin-1-ylbutyl)pyrazole-4-sulfonamide
CID 45822387
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 51080618
N-[(2S)-2-(diethylamino)propyl]-1-methylpyrazole-4-sulfonamide
CID 94025245
1-ethyl-N-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]pyrazole-4-sulfonamide
CID 96468030

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride?
The IUPAC name of 1-cyclopropyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride (CID 175713043) is 1-cyclopropyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride.
What is the SMILES notation for 1-cyclopropyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride?
The canonical SMILES for 1-cyclopropyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride is CN1CCC[C@@H](NNS(=O)(=O)c2cnn(C3CC3)c2)C1.Cl.
What is the InChIKey of 1-cyclopropyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride?
The InChIKey is CWXQKFVPUQKJLY-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H21N5O2S.ClH/c1-16-6-2-3-10(8-16)14-15-20(18,19)12-7-13-17(9-12)11-4-5-11;/h7,9-11,14-15H,2-6,8H2,1H3;1H/t10-;/m1./s1.
What are the key properties of 1-cyclopropyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride?
1-cyclopropyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride has a molecular weight of 335.86 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride is sourced from PubChem (CID 175713043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).