4-(3-methoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine

C10H18N4O3S — CID 103530214

IUPAC4-(3-methoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
SMILESCOC1CCN(S(=O)(=O)c2c(N)nn(C)c2C)C1
InChIInChI=1S/C10H18N4O3S/c1-7-9(10(11)12-13(7)2)18(15,16)14-5-4-8(6-14)17-3/h8H,4-6H2,1-3H3,(H2,11,12)
InChIKeyLTABFTZYVDHUOB-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.28
Rot. Bonds3

About 4-(3-methoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine

4-(3-methoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine (PubChem CID 103530214) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-(3-methoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound Name4-(3-methoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
PubChem CID103530214
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC Name4-(3-methoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
SMILESCOC1CCN(S(=O)(=O)c2c(N)nn(C)c2C)C1
InChIInChI=1S/C10H18N4O3S/c1-7-9(10(11)12-13(7)2)18(15,16)14-5-4-8(6-14)17-3/h8H,4-6H2,1-3H3,(H2,11,12)
InChIKeyLTABFTZYVDHUOB-UHFFFAOYSA-N
XLogP-0.28
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(2-hydroxyethyl)-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358606
3-amino-1,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4-sulfonamide
CID 105358949
3-amino-1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-sulfonamide
CID 105641613
3-amino-N-(3,3-difluoro-2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105641823
3-amino-N-[2-(2,2-difluoroethoxy)ethyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105905396
3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 107478051
5-amino-N-(3-ethoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 82460007
5-amino-1,3-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
CID 82460008
5-amino-N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 82460020
5-amino-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide
CID 82460021
5-amino-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 82460030
5-amino-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-sulfonamide
CID 82460031

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine?
The IUPAC name of 4-(3-methoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine (CID 103530214) is 4-(3-methoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine.
What is the SMILES notation for 4-(3-methoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine?
The canonical SMILES for 4-(3-methoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine is COC1CCN(S(=O)(=O)c2c(N)nn(C)c2C)C1.
What is the InChIKey of 4-(3-methoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine?
The InChIKey is LTABFTZYVDHUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-7-9(10(11)12-13(7)2)18(15,16)14-5-4-8(6-14)17-3/h8H,4-6H2,1-3H3,(H2,11,12).
What are the key properties of 4-(3-methoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine?
4-(3-methoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine has a molecular weight of 274.35 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 103530214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).