1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)imidazole

C12H17N5O — CID 104874875

IUPAC1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)imidazole
SMILESCO[C@H]1CNCC1n1cncc1-c1cnn(C)c1
InChIInChI=1S/C12H17N5O/c1-16-7-9(3-15-16)10-4-14-8-17(10)11-5-13-6-12(11)18-2/h3-4,7-8,11-13H,5-6H2,1-2H3/t11?,12-/m0/s1
InChIKeyONNKXWXEHHHURS-KIYNQFGBSA-N
MW247.30 g/mol
LogP0.44
Rot. Bonds3

About 1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)imidazole

1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)imidazole (PubChem CID 104874875) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)imidazole.

Molecular Properties

Compound Name1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)imidazole
PubChem CID104874875
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)imidazole
SMILESCO[C@H]1CNCC1n1cncc1-c1cnn(C)c1
InChIInChI=1S/C12H17N5O/c1-16-7-9(3-15-16)10-4-14-8-17(10)11-5-13-6-12(11)18-2/h3-4,7-8,11-13H,5-6H2,1-2H3/t11?,12-/m0/s1
InChIKeyONNKXWXEHHHURS-KIYNQFGBSA-N
XLogP0.44
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(3-methylphenyl)imidazole
CID 104874886
N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 43594183
4-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]azepane
CID 107174374
1-[(4S)-4-methoxypyrrolidin-3-yl]-3,4-dimethylpyrrole-2,5-dione
CID 63267200
1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine-2,6-dione
CID 62934661
4-[(4S)-4-methoxypyrrolidin-3-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 61350762
1-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylpyrrolidine-2,5-dione
CID 61348456
5-[1-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
CID 134462553
5-(azetidin-3-yl)-1-(1-methylpyrrolidin-3-yl)imidazole
CID 114719037
2-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,2-thiazolidine 1,1-dioxide
CID 79589586
3-[2-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]piperidine
CID 103573754
(4S)-3-(3,3-diethylazetidin-1-yl)-4-methoxypyrrolidine
CID 79677032

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)imidazole?
The IUPAC name of 1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)imidazole (CID 104874875) is 1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)imidazole.
What is the SMILES notation for 1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)imidazole?
The canonical SMILES for 1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)imidazole is CO[C@H]1CNCC1n1cncc1-c1cnn(C)c1.
What is the InChIKey of 1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)imidazole?
The InChIKey is ONNKXWXEHHHURS-KIYNQFGBSA-N. The full InChI is InChI=1S/C12H17N5O/c1-16-7-9(3-15-16)10-4-14-8-17(10)11-5-13-6-12(11)18-2/h3-4,7-8,11-13H,5-6H2,1-2H3/t11?,12-/m0/s1.
What are the key properties of 1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)imidazole?
1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)imidazole has a molecular weight of 247.30 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)imidazole is sourced from PubChem (CID 104874875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).