(3R)-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine

C19H23N5 — CID 97158539

IUPAC(3R)-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine
SMILESCc1ncc(CN2CCC[C@H](c3cn[nH]c3)C2)n1-c1ccccc1
InChIInChI=1S/C19H23N5/c1-15-20-12-19(24(15)18-7-3-2-4-8-18)14-23-9-5-6-16(13-23)17-10-21-22-11-17/h2-4,7-8,10-12,16H,5-6,9,13-14H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyGEFIMKWAJDHHBM-INIZCTEOSA-N
MW321.43 g/mol
LogP3.28
Rot. Bonds4

About (3R)-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine

(3R)-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine (PubChem CID 97158539) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is (3R)-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine.

Molecular Properties

Compound Name(3R)-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine
PubChem CID97158539
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name(3R)-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine
SMILESCc1ncc(CN2CCC[C@H](c3cn[nH]c3)C2)n1-c1ccccc1
InChIInChI=1S/C19H23N5/c1-15-20-12-19(24(15)18-7-3-2-4-8-18)14-23-9-5-6-16(13-23)17-10-21-22-11-17/h2-4,7-8,10-12,16H,5-6,9,13-14H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyGEFIMKWAJDHHBM-INIZCTEOSA-N
XLogP3.28
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine
CID 97147443
1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967486
1-(3-phenylbutyl)-3-(1H-pyrazol-4-yl)piperidine
CID 86806813
1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967485
(3R)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine
CID 97158561
2-methyl-5-[(3-methylsulfonylazetidin-1-yl)methyl]-1-phenylimidazole
CID 126816677
1-ethylsulfonyl-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperazine
CID 75438529
3-[4-[(2-methyl-3-phenylimidazol-4-yl)methyl]morpholin-2-yl]phenol
CID 75514974
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)piperidine
CID 86771121
5-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 122125379
(3R)-1-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonylimidazol-4-yl]methyl]-3-phenylpiperidine
CID 25287322
2-methoxy-6-nitro-4-[[(3S)-3-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]phenol
CID 97158530

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine?
The IUPAC name of (3R)-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine (CID 97158539) is (3R)-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine.
What is the SMILES notation for (3R)-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine?
The canonical SMILES for (3R)-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine is Cc1ncc(CN2CCC[C@H](c3cn[nH]c3)C2)n1-c1ccccc1.
What is the InChIKey of (3R)-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine?
The InChIKey is GEFIMKWAJDHHBM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N5/c1-15-20-12-19(24(15)18-7-3-2-4-8-18)14-23-9-5-6-16(13-23)17-10-21-22-11-17/h2-4,7-8,10-12,16H,5-6,9,13-14H2,1H3,(H,21,22)/t16-/m0/s1.
What are the key properties of (3R)-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine?
(3R)-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine has a molecular weight of 321.43 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine is sourced from PubChem (CID 97158539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).