N-(3-ethylsulfonylpropyl)-1-propan-2-ylpyrazol-3-amine

C11H21N3O2S — CID 114094321

IUPACN-(3-ethylsulfonylpropyl)-1-propan-2-ylpyrazol-3-amine
SMILESCCS(=O)(=O)CCCNc1ccn(C(C)C)n1
InChIInChI=1S/C11H21N3O2S/c1-4-17(15,16)9-5-7-12-11-6-8-14(13-11)10(2)3/h6,8,10H,4-5,7,9H2,1-3H3,(H,12,13)
InChIKeyCYHVCANUCGHAPF-UHFFFAOYSA-N
MW259.38 g/mol
LogP1.70
Rot. Bonds7

About N-(3-ethylsulfonylpropyl)-1-propan-2-ylpyrazol-3-amine

N-(3-ethylsulfonylpropyl)-1-propan-2-ylpyrazol-3-amine (PubChem CID 114094321) has the molecular formula C11H21N3O2S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-(3-ethylsulfonylpropyl)-1-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound NameN-(3-ethylsulfonylpropyl)-1-propan-2-ylpyrazol-3-amine
PubChem CID114094321
Molecular FormulaC11H21N3O2S
Molecular Weight259.38 g/mol
Exact Mass259.14
IUPAC NameN-(3-ethylsulfonylpropyl)-1-propan-2-ylpyrazol-3-amine
SMILESCCS(=O)(=O)CCCNc1ccn(C(C)C)n1
InChIInChI=1S/C11H21N3O2S/c1-4-17(15,16)9-5-7-12-11-6-8-14(13-11)10(2)3/h6,8,10H,4-5,7,9H2,1-3H3,(H,12,13)
InChIKeyCYHVCANUCGHAPF-UHFFFAOYSA-N
XLogP1.70
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoroethyl)-1-propan-2-ylpyrazol-3-amine
CID 130496244
1-[(2S)-butan-2-yl]-N-butylpyrazol-3-amine
CID 124932283
2-[(1-propan-2-ylpyrazol-3-yl)amino]acetic acid
CID 130495843
1-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol
CID 130496246
N,1-di(propan-2-yl)pyrazol-3-amine
CID 130477356
N,1-di(propan-2-yl)pyrazol-3-amine;ethane
CID 169238022
1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 114252049
2-bromo-N-(1-propan-2-ylpyrazol-3-yl)butanamide
CID 130495798
3-amino-2,2,3-trimethyl-N-(1-propan-2-ylpyrazol-3-yl)butanamide
CID 114252199
2-[(1-propan-2-ylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 114094335
N-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine;hydrochloride
CID 126966943
N-(3-ethylsulfonylpropyl)-1,3-dimethylpyrazol-4-amine
CID 102805295

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfonylpropyl)-1-propan-2-ylpyrazol-3-amine?
The IUPAC name of N-(3-ethylsulfonylpropyl)-1-propan-2-ylpyrazol-3-amine (CID 114094321) is N-(3-ethylsulfonylpropyl)-1-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for N-(3-ethylsulfonylpropyl)-1-propan-2-ylpyrazol-3-amine?
The canonical SMILES for N-(3-ethylsulfonylpropyl)-1-propan-2-ylpyrazol-3-amine is CCS(=O)(=O)CCCNc1ccn(C(C)C)n1.
What is the InChIKey of N-(3-ethylsulfonylpropyl)-1-propan-2-ylpyrazol-3-amine?
The InChIKey is CYHVCANUCGHAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-4-17(15,16)9-5-7-12-11-6-8-14(13-11)10(2)3/h6,8,10H,4-5,7,9H2,1-3H3,(H,12,13).
What are the key properties of N-(3-ethylsulfonylpropyl)-1-propan-2-ylpyrazol-3-amine?
N-(3-ethylsulfonylpropyl)-1-propan-2-ylpyrazol-3-amine has a molecular weight of 259.38 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfonylpropyl)-1-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 114094321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).