2-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyrimidine

C14H19N5O2S — CID 124949714

IUPAC2-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyrimidine
SMILESCc1ccnc([C@H]2CCN(S(=O)(=O)c3cn(C)nc3C)C2)n1
InChIInChI=1S/C14H19N5O2S/c1-10-4-6-15-14(16-10)12-5-7-19(8-12)22(20,21)13-9-18(3)17-11(13)2/h4,6,9,12H,5,7-8H2,1-3H3/t12-/m0/s1
InChIKeyCWANYUNDQPEBEQ-LBPRGKRZSA-N
MW321.41 g/mol
LogP1.01
Rot. Bonds3

About 2-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyrimidine

2-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyrimidine (PubChem CID 124949714) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyrimidine
PubChem CID124949714
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name2-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyrimidine
SMILESCc1ccnc([C@H]2CCN(S(=O)(=O)c3cn(C)nc3C)C2)n1
InChIInChI=1S/C14H19N5O2S/c1-10-4-6-15-14(16-10)12-5-7-19(8-12)22(20,21)13-9-18(3)17-11(13)2/h4,6,9,12H,5,7-8H2,1-3H3/t12-/m0/s1
InChIKeyCWANYUNDQPEBEQ-LBPRGKRZSA-N
XLogP1.01
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4,6-dimethylpyrimidine
CID 95829889
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-methylpyrimidine
CID 175652445
4-methyl-2-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyrimidine
CID 110103731
4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine
CID 95808838
2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole
CID 124997319
4-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid
CID 97191248
2-[[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-6-methylpyridine
CID 125026192
1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid
CID 3164934
(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 7026133
(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 7017717
4-methyl-2-(1-methylpiperidin-3-yl)pyrimidine
CID 122609712
3-[(2S)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]pyrazin-2-amine
CID 125013873

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyrimidine?
The IUPAC name of 2-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyrimidine (CID 124949714) is 2-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyrimidine.
What is the SMILES notation for 2-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyrimidine?
The canonical SMILES for 2-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyrimidine is Cc1ccnc([C@H]2CCN(S(=O)(=O)c3cn(C)nc3C)C2)n1.
What is the InChIKey of 2-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyrimidine?
The InChIKey is CWANYUNDQPEBEQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-10-4-6-15-14(16-10)12-5-7-19(8-12)22(20,21)13-9-18(3)17-11(13)2/h4,6,9,12H,5,7-8H2,1-3H3/t12-/m0/s1.
What are the key properties of 2-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyrimidine?
2-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyrimidine has a molecular weight of 321.41 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyrimidine is sourced from PubChem (CID 124949714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).