(3R)-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-amine;hydrochloride

C13H17ClN4O2S — CID 119962892

IUPAC(3R)-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C13H16N4O2S.ClH/c14-11-6-7-16(9-11)20(18,19)13-8-15-17(10-13)12-4-2-1-3-5-12;/h1-5,8,10-11H,6-7,9,14H2;1H/t11-;/m1./s1
InChIKeyRDHASQMGEKJEHS-RFVHGSKJSA-N
MW328.82 g/mol
LogP1.02
Rot. Bonds3

About (3R)-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-amine;hydrochloride

(3R)-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 119962892) has the molecular formula C13H17ClN4O2S and a molecular weight of 328.82 g/mol. Its IUPAC name is (3R)-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID119962892
Molecular FormulaC13H17ClN4O2S
Molecular Weight328.82 g/mol
Exact Mass328.08
IUPAC Name(3R)-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C13H16N4O2S.ClH/c14-11-6-7-16(9-11)20(18,19)13-8-15-17(10-13)12-4-2-1-3-5-12;/h1-5,8,10-11H,6-7,9,14H2;1H/t11-;/m1./s1
InChIKeyRDHASQMGEKJEHS-RFVHGSKJSA-N
XLogP1.02
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 120779609
N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 119980335
N-(cyclopropylmethyl)-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 119987915
(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119962668
1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride
CID 119959400
1-(1-phenylpyrazol-4-yl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963609
1-pyridin-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 91660222
[(3R,4R)-4-phenyl-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 120766302
[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969606
1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
CID 53433554
(3R)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(1-phenylpyrazol-4-yl)sulfonylpiperidine
CID 97330595
(3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119993487

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-amine;hydrochloride (CID 119962892) is (3R)-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-amine;hydrochloride is Cl.N[C@@H]1CCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)C1.
What is the InChIKey of (3R)-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is RDHASQMGEKJEHS-RFVHGSKJSA-N. The full InChI is InChI=1S/C13H16N4O2S.ClH/c14-11-6-7-16(9-11)20(18,19)13-8-15-17(10-13)12-4-2-1-3-5-12;/h1-5,8,10-11H,6-7,9,14H2;1H/t11-;/m1./s1.
What are the key properties of (3R)-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-amine;hydrochloride?
(3R)-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 328.82 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119962892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).