5-methoxy-1-methyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyrazole

C12H17N5O — CID 114256723

IUPAC5-methoxy-1-methyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyrazole
SMILESCOc1cc(-n2cncc2[C@@H]2CCCN2)nn1C
InChIInChI=1S/C12H17N5O/c1-16-12(18-2)6-11(15-16)17-8-13-7-10(17)9-4-3-5-14-9/h6-9,14H,3-5H2,1-2H3/t9-/m0/s1
InChIKeyDXAVSKRGNWDMBA-VIFPVBQESA-N
MW247.30 g/mol
LogP1.04
Rot. Bonds3

About 5-methoxy-1-methyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyrazole

5-methoxy-1-methyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyrazole (PubChem CID 114256723) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-methoxy-1-methyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyrazole.

Molecular Properties

Compound Name5-methoxy-1-methyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyrazole
PubChem CID114256723
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name5-methoxy-1-methyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyrazole
SMILESCOc1cc(-n2cncc2[C@@H]2CCCN2)nn1C
InChIInChI=1S/C12H17N5O/c1-16-12(18-2)6-11(15-16)17-8-13-7-10(17)9-4-3-5-14-9/h6-9,14H,3-5H2,1-2H3/t9-/m0/s1
InChIKeyDXAVSKRGNWDMBA-VIFPVBQESA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941589
1-(2-chloro-5-methoxyphenyl)-5-pyrrolidin-2-ylimidazole
CID 114704542
2-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]piperidine
CID 114706296
2-methoxy-5-(5-piperidin-2-ylimidazol-1-yl)pyridine
CID 114702661
2-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]piperidine
CID 114705681
1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942009
4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine
CID 104942033
1-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114703790
1-(3-methylsulfanylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114702733
1,3-dimethyl-5-[(2R)-pyrrolidin-2-yl]pyrazole
CID 42575745
1-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114703942
1-(3-bromo-5-methylphenyl)-5-pyrrolidin-2-ylimidazole
CID 107581323

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyrazole?
The IUPAC name of 5-methoxy-1-methyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyrazole (CID 114256723) is 5-methoxy-1-methyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyrazole.
What is the SMILES notation for 5-methoxy-1-methyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyrazole?
The canonical SMILES for 5-methoxy-1-methyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyrazole is COc1cc(-n2cncc2[C@@H]2CCCN2)nn1C.
What is the InChIKey of 5-methoxy-1-methyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyrazole?
The InChIKey is DXAVSKRGNWDMBA-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N5O/c1-16-12(18-2)6-11(15-16)17-8-13-7-10(17)9-4-3-5-14-9/h6-9,14H,3-5H2,1-2H3/t9-/m0/s1.
What are the key properties of 5-methoxy-1-methyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyrazole?
5-methoxy-1-methyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyrazole has a molecular weight of 247.30 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyrazole is sourced from PubChem (CID 114256723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).