1-[(3S)-1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole

C16H25N5 — CID 124758605

IUPAC1-[(3S)-1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole
SMILESCCc1nccn1CCN1CC[C@H](n2nc(C)cc2C)C1
InChIInChI=1S/C16H25N5/c1-4-16-17-6-8-20(16)10-9-19-7-5-15(12-19)21-14(3)11-13(2)18-21/h6,8,11,15H,4-5,7,9-10,12H2,1-3H3/t15-/m0/s1
InChIKeyZHQUFTMCUZFBSL-HNNXBMFYSA-N
MW287.41 g/mol
LogP2.21
Rot. Bonds5

About 1-[(3S)-1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole

1-[(3S)-1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole (PubChem CID 124758605) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[(3S)-1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[(3S)-1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole
PubChem CID124758605
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name1-[(3S)-1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole
SMILESCCc1nccn1CCN1CC[C@H](n2nc(C)cc2C)C1
InChIInChI=1S/C16H25N5/c1-4-16-17-6-8-20(16)10-9-19-7-5-15(12-19)21-14(3)11-13(2)18-21/h6,8,11,15H,4-5,7,9-10,12H2,1-3H3/t15-/m0/s1
InChIKeyZHQUFTMCUZFBSL-HNNXBMFYSA-N
XLogP2.21
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,4,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-2-amine
CID 46958595
2-[[2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
CID 53566422
2-(3,5-Dimethylpyrazol-1-yl)-1-[4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 53605638
7-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53618710
1-Methyl-2-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazole
CID 53619483
N-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1-(1H-imidazol-1-yl)propan-2-amine
CID 56718658
N-methyl-2-(2-methyl-1H-imidazol-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)ethanamine
CID 56893902
2-{1-[2-(4H-1,2,4-triazol-4-yl)ethyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 56904821
2-{1-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 56908814
2-{1-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 56909304
2-{1-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1H-imidazol-2-yl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine dihydrochloride
CID 70715313
1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
CID 71928514

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[(3S)-1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole (CID 124758605) is 1-[(3S)-1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[(3S)-1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[(3S)-1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole is CCc1nccn1CCN1CC[C@H](n2nc(C)cc2C)C1.
What is the InChIKey of 1-[(3S)-1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole?
The InChIKey is ZHQUFTMCUZFBSL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25N5/c1-4-16-17-6-8-20(16)10-9-19-7-5-15(12-19)21-14(3)11-13(2)18-21/h6,8,11,15H,4-5,7,9-10,12H2,1-3H3/t15-/m0/s1.
What are the key properties of 1-[(3S)-1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole?
1-[(3S)-1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole has a molecular weight of 287.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole is sourced from PubChem (CID 124758605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).