1-[1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole

C19H23N5 — CID 56905482

IUPAC1-[1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(C2CCN(Cc3ccc(-n4ccnc4)cc3)C2)n1
InChIInChI=1S/C19H23N5/c1-15-11-16(2)24(21-15)19-7-9-22(13-19)12-17-3-5-18(6-4-17)23-10-8-20-14-23/h3-6,8,10-11,14,19H,7,9,12-13H2,1-2H3
InChIKeyDWYKFVGVLYZLKH-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.13
Rot. Bonds4

About 1-[1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole

1-[1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole (PubChem CID 56905482) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-[1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole
PubChem CID56905482
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name1-[1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(C2CCN(Cc3ccc(-n4ccnc4)cc3)C2)n1
InChIInChI=1S/C19H23N5/c1-15-11-16(2)24(21-15)19-7-9-22(13-19)12-17-3-5-18(6-4-17)23-10-8-20-14-23/h3-6,8,10-11,14,19H,7,9,12-13H2,1-2H3
InChIKeyDWYKFVGVLYZLKH-UHFFFAOYSA-N
XLogP3.13
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-1-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazole
CID 50978885
(3S)-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylpiperazine
CID 103885713
3,5-dimethyl-1-[(3R)-1-[(2,3,4-trifluorophenyl)methyl]pyrrolidin-3-yl]pyrazole
CID 95725333
1-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethylpiperazine
CID 63874840
2-[2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrrol-1-yl]pyrimidine
CID 50972341
(2S)-1-[(2S)-4-[(4-imidazol-1-ylphenyl)methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 98768736
1-[(4-imidazol-1-ylphenyl)methyl]azocane
CID 167953311
2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728732
4-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1-ethylpyrrole-2-carbonitrile
CID 56891678
4-[[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1-ethylpyrrole-2-carbonitrile
CID 95714599
(1R,5S)-6-[(4-imidazol-1-ylphenyl)methyl]-3-(pyridin-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 133119322
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
CID 70761131

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole (CID 56905482) is 1-[1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole is Cc1cc(C)n(C2CCN(Cc3ccc(-n4ccnc4)cc3)C2)n1.
What is the InChIKey of 1-[1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole?
The InChIKey is DWYKFVGVLYZLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-15-11-16(2)24(21-15)19-7-9-22(13-19)12-17-3-5-18(6-4-17)23-10-8-20-14-23/h3-6,8,10-11,14,19H,7,9,12-13H2,1-2H3.
What are the key properties of 1-[1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole?
1-[1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole has a molecular weight of 321.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole is sourced from PubChem (CID 56905482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).