1-ethyl-4-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole

C14H21N5 — CID 124978097

IUPAC1-ethyl-4-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole
SMILESCCn1cc(CN2CC[C@@H](c3ncc(C)[nH]3)C2)cn1
InChIInChI=1S/C14H21N5/c1-3-19-9-12(7-16-19)8-18-5-4-13(10-18)14-15-6-11(2)17-14/h6-7,9,13H,3-5,8,10H2,1-2H3,(H,15,17)/t13-/m1/s1
InChIKeyLRHGHAMJOYBGAB-CYBMUJFWSA-N
MW259.36 g/mol
LogP1.92
Rot. Bonds4

About 1-ethyl-4-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole

1-ethyl-4-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole (PubChem CID 124978097) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 1-ethyl-4-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole.

Molecular Properties

Compound Name1-ethyl-4-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole
PubChem CID124978097
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name1-ethyl-4-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole
SMILESCCn1cc(CN2CC[C@@H](c3ncc(C)[nH]3)C2)cn1
InChIInChI=1S/C14H21N5/c1-3-19-9-12(7-16-19)8-18-5-4-13(10-18)14-15-6-11(2)17-14/h6-7,9,13H,3-5,8,10H2,1-2H3,(H,15,17)/t13-/m1/s1
InChIKeyLRHGHAMJOYBGAB-CYBMUJFWSA-N
XLogP1.92
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-4-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole with MolForge

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Related Compounds

(3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 124970369
2-methyl-5-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyridine
CID 125015783
2-methyl-5-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]pyrimidine
CID 125022368
1-ethyl-4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]piperidine
CID 125019244
2-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methyl-1H-imidazole
CID 125006103
2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115883006
1-[(3,5-dimethoxyphenyl)methyl]-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 110104080
1-[(1-propylpyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 75496981
1-[(1-ethylpyrazol-4-yl)methyl]-N,3-dimethylpiperidin-4-amine
CID 114499054
5-methyl-2-[1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-imidazole
CID 110104616
4-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-(2-methylpropyl)piperidine
CID 26317491
1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 124996250

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole?
The IUPAC name of 1-ethyl-4-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole (CID 124978097) is 1-ethyl-4-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole.
What is the SMILES notation for 1-ethyl-4-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole?
The canonical SMILES for 1-ethyl-4-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole is CCn1cc(CN2CC[C@@H](c3ncc(C)[nH]3)C2)cn1.
What is the InChIKey of 1-ethyl-4-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole?
The InChIKey is LRHGHAMJOYBGAB-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21N5/c1-3-19-9-12(7-16-19)8-18-5-4-13(10-18)14-15-6-11(2)17-14/h6-7,9,13H,3-5,8,10H2,1-2H3,(H,15,17)/t13-/m1/s1.
What are the key properties of 1-ethyl-4-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole?
1-ethyl-4-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole has a molecular weight of 259.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole is sourced from PubChem (CID 124978097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).