1-pyrrolidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide

C12H22N4O2S — CID 79242493

IUPAC1-pyrrolidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide
SMILESCc1nn(C)c(C)c1CNS(=O)(=O)CC1CCCN1
InChIInChI=1S/C12H22N4O2S/c1-9-12(10(2)16(3)15-9)7-14-19(17,18)8-11-5-4-6-13-11/h11,13-14H,4-8H2,1-3H3
InChIKeyDUOUVUJAPLINDO-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.21
Rot. Bonds5

About 1-pyrrolidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide

1-pyrrolidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide (PubChem CID 79242493) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-pyrrolidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-pyrrolidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide
PubChem CID79242493
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-pyrrolidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide
SMILESCc1nn(C)c(C)c1CNS(=O)(=O)CC1CCCN1
InChIInChI=1S/C12H22N4O2S/c1-9-12(10(2)16(3)15-9)7-14-19(17,18)8-11-5-4-6-13-11/h11,13-14H,4-8H2,1-3H3
InChIKeyDUOUVUJAPLINDO-UHFFFAOYSA-N
XLogP0.21
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-piperidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 106634107
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-sulfonamide
CID 79242655
N-(2,5-dimethylpyrazol-3-yl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54973643
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 79236153
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanesulfonamide
CID 106303557
(2S)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119725181
N-methyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide
CID 94233927
1,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 55084391
1-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823783
N-[(2-hydroxyphenyl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 115071289
1-(3-aminophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide
CID 79223738
N,1,3,5-tetramethyl-N-(piperidin-2-ylmethyl)pyrazole-4-sulfonamide
CID 106630407

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide?
The IUPAC name of 1-pyrrolidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide (CID 79242493) is 1-pyrrolidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-pyrrolidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-pyrrolidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide is Cc1nn(C)c(C)c1CNS(=O)(=O)CC1CCCN1.
What is the InChIKey of 1-pyrrolidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide?
The InChIKey is DUOUVUJAPLINDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-9-12(10(2)16(3)15-9)7-14-19(17,18)8-11-5-4-6-13-11/h11,13-14H,4-8H2,1-3H3.
What are the key properties of 1-pyrrolidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide?
1-pyrrolidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 79242493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).