4-[(2R)-1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole

C21H27N5 — CID 95750793

IUPAC4-[(2R)-1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole
SMILESCc1nn(C)c(C)c1[C@H]1CCCN1Cc1nccn1Cc1ccccc1
InChIInChI=1S/C21H27N5/c1-16-21(17(2)24(3)23-16)19-10-7-12-25(19)15-20-22-11-13-26(20)14-18-8-5-4-6-9-18/h4-6,8-9,11,13,19H,7,10,12,14-15H2,1-3H3/t19-/m1/s1
InChIKeyBGFDOZJNEXMXKA-LJQANCHMSA-N
MW349.48 g/mol
LogP3.62
Rot. Bonds5

About 4-[(2R)-1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole

4-[(2R)-1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole (PubChem CID 95750793) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-[(2R)-1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name4-[(2R)-1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole
PubChem CID95750793
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC Name4-[(2R)-1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole
SMILESCc1nn(C)c(C)c1[C@H]1CCCN1Cc1nccn1Cc1ccccc1
InChIInChI=1S/C21H27N5/c1-16-21(17(2)24(3)23-16)19-10-7-12-25(19)15-20-22-11-13-26(20)14-18-8-5-4-6-9-18/h4-6,8-9,11,13,19H,7,10,12,14-15H2,1-3H3/t19-/m1/s1
InChIKeyBGFDOZJNEXMXKA-LJQANCHMSA-N
XLogP3.62
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(2R)-1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,5-trimethyl-4-[(2R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]pyrazole
CID 95611766
4-[(2R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole
CID 95611782
1,3,5-trimethyl-4-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]pyrazole
CID 86895587
3-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 122029033
2-methyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrazine
CID 95979023
2-phenyl-5-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95978943
3-phenyl-5-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 95610205
[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]methanol
CID 110898884
4-[1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole
CID 56780686
1,3,5-trimethyl-4-[(2S)-1-[2-[(R)-phenylsulfinyl]ethyl]pyrrolidin-2-yl]pyrazole
CID 95750800
1-benzyl-2-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole
CID 95609576
5-[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 134700016

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole?
The IUPAC name of 4-[(2R)-1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole (CID 95750793) is 4-[(2R)-1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole.
What is the SMILES notation for 4-[(2R)-1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole?
The canonical SMILES for 4-[(2R)-1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole is Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1nccn1Cc1ccccc1.
What is the InChIKey of 4-[(2R)-1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole?
The InChIKey is BGFDOZJNEXMXKA-LJQANCHMSA-N. The full InChI is InChI=1S/C21H27N5/c1-16-21(17(2)24(3)23-16)19-10-7-12-25(19)15-20-22-11-13-26(20)14-18-8-5-4-6-9-18/h4-6,8-9,11,13,19H,7,10,12,14-15H2,1-3H3/t19-/m1/s1.
What are the key properties of 4-[(2R)-1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole?
4-[(2R)-1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole has a molecular weight of 349.48 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole is sourced from PubChem (CID 95750793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).