2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propylimidazole

C16H25N5O2S — CID 164637005

IUPAC2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propylimidazole
SMILESCCCn1c(C)cnc1[C@H]1CCN(S(=O)(=O)c2cnn(CC)c2)C1
InChIInChI=1S/C16H25N5O2S/c1-4-7-21-13(3)9-17-16(21)14-6-8-20(11-14)24(22,23)15-10-18-19(5-2)12-15/h9-10,12,14H,4-8,11H2,1-3H3/t14-/m0/s1
InChIKeyRCENBKJCFQNKMH-AWEZNQCLSA-N
MW351.48 g/mol
LogP2.00
Rot. Bonds6

About 2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propylimidazole

2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propylimidazole (PubChem CID 164637005) has the molecular formula C16H25N5O2S and a molecular weight of 351.48 g/mol. Its IUPAC name is 2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propylimidazole.

Molecular Properties

Compound Name2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propylimidazole
PubChem CID164637005
Molecular FormulaC16H25N5O2S
Molecular Weight351.48 g/mol
Exact Mass351.17
IUPAC Name2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propylimidazole
SMILESCCCn1c(C)cnc1[C@H]1CCN(S(=O)(=O)c2cnn(CC)c2)C1
InChIInChI=1S/C16H25N5O2S/c1-4-7-21-13(3)9-17-16(21)14-6-8-20(11-14)24(22,23)15-10-18-19(5-2)12-15/h9-10,12,14H,4-8,11H2,1-3H3/t14-/m0/s1
InChIKeyRCENBKJCFQNKMH-AWEZNQCLSA-N
XLogP2.00
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine
CID 95110380
2-[2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]acetamide
CID 72852742
1-(2-chloroethyl)-4-(3-ethylpyrrolidin-1-yl)sulfonylpyrazole
CID 113419392
(1S,9S)-11-(1-propylpyrazol-4-yl)sulfonyl-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene
CID 118792989
(3aR,5S,6S,7aS)-2-(1-propylpyrazol-4-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 56899644
3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2,4-oxadiazole
CID 91905638
1-ethyl-4-[3-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]sulfonylpyrazole
CID 91919967
3-[1-(2-chloroethyl)pyrazol-4-yl]sulfonyl-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79165195
(3R,4S)-4-propyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 72874326
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole
CID 91911685
5-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 56706575
3-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-(phenylmethoxymethyl)-1,2,4-oxadiazole
CID 164640560

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propylimidazole?
The IUPAC name of 2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propylimidazole (CID 164637005) is 2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propylimidazole.
What is the SMILES notation for 2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propylimidazole?
The canonical SMILES for 2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propylimidazole is CCCn1c(C)cnc1[C@H]1CCN(S(=O)(=O)c2cnn(CC)c2)C1.
What is the InChIKey of 2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propylimidazole?
The InChIKey is RCENBKJCFQNKMH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N5O2S/c1-4-7-21-13(3)9-17-16(21)14-6-8-20(11-14)24(22,23)15-10-18-19(5-2)12-15/h9-10,12,14H,4-8,11H2,1-3H3/t14-/m0/s1.
What are the key properties of 2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propylimidazole?
2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propylimidazole has a molecular weight of 351.48 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propylimidazole is sourced from PubChem (CID 164637005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).