(3S,4R)-1-[(1-benzylpyrazol-4-yl)methyl]-3-imidazol-1-yl-4-methylpiperidine

C20H25N5 — CID 124776982

IUPAC(3S,4R)-1-[(1-benzylpyrazol-4-yl)methyl]-3-imidazol-1-yl-4-methylpiperidine
SMILESC[C@@H]1CCN(Cc2cnn(Cc3ccccc3)c2)C[C@H]1n1ccnc1
InChIInChI=1S/C20H25N5/c1-17-7-9-23(15-20(17)24-10-8-21-16-24)12-19-11-22-25(14-19)13-18-5-3-2-4-6-18/h2-6,8,10-11,14,16-17,20H,7,9,12-13,15H2,1H3/t17-,20-/m1/s1
InChIKeyXDMFVFPMTCZCMA-YLJYHZDGSA-N
MW335.46 g/mol
LogP3.21
Rot. Bonds5

About (3S,4R)-1-[(1-benzylpyrazol-4-yl)methyl]-3-imidazol-1-yl-4-methylpiperidine

(3S,4R)-1-[(1-benzylpyrazol-4-yl)methyl]-3-imidazol-1-yl-4-methylpiperidine (PubChem CID 124776982) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is (3S,4R)-1-[(1-benzylpyrazol-4-yl)methyl]-3-imidazol-1-yl-4-methylpiperidine.

Molecular Properties

Compound Name(3S,4R)-1-[(1-benzylpyrazol-4-yl)methyl]-3-imidazol-1-yl-4-methylpiperidine
PubChem CID124776982
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC Name(3S,4R)-1-[(1-benzylpyrazol-4-yl)methyl]-3-imidazol-1-yl-4-methylpiperidine
SMILESC[C@@H]1CCN(Cc2cnn(Cc3ccccc3)c2)C[C@H]1n1ccnc1
InChIInChI=1S/C20H25N5/c1-17-7-9-23(15-20(17)24-10-8-21-16-24)12-19-11-22-25(14-19)13-18-5-3-2-4-6-18/h2-6,8,10-11,14,16-17,20H,7,9,12-13,15H2,1H3/t17-,20-/m1/s1
InChIKeyXDMFVFPMTCZCMA-YLJYHZDGSA-N
XLogP3.21
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-1-[(1-benzylpyrazol-4-yl)methyl]-3-imidazol-1-yl-4-methylpiperidine with MolForge

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Related Compounds

3-imidazol-1-yl-4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine
CID 75438067
(3R,4R)-3-imidazol-1-yl-4-methyl-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 124874625
(3R,4S)-3-imidazol-1-yl-4-methyl-1-(2-phenylsulfanylethyl)piperidine
CID 97092565
(3S,4R)-3-imidazol-1-yl-4-methyl-1-(2-phenylsulfanylethyl)piperidine
CID 124784269
1-(1-benzylpyrrolidin-3-yl)imidazole
CID 18712879
2-[(3-imidazol-1-yl-4-methylpiperidin-1-yl)methyl]-3-methylquinazolin-4-one
CID 84593167
3-imidazol-1-yl-4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine
CID 75514660
1-[1-[(1-benzylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967671
1-benzyl-4-[[3-(oxan-4-yl)azetidin-1-yl]methyl]pyrazole
CID 167856271
methyl 3-[[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]methyl]thiophene-2-carboxylate
CID 98875034
1-[(1-benzylpyrazol-4-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125500
(3S,4S)-1-benzyl-4-chloro-3-methylpiperidine
CID 97176910

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(1-benzylpyrazol-4-yl)methyl]-3-imidazol-1-yl-4-methylpiperidine?
The IUPAC name of (3S,4R)-1-[(1-benzylpyrazol-4-yl)methyl]-3-imidazol-1-yl-4-methylpiperidine (CID 124776982) is (3S,4R)-1-[(1-benzylpyrazol-4-yl)methyl]-3-imidazol-1-yl-4-methylpiperidine.
What is the SMILES notation for (3S,4R)-1-[(1-benzylpyrazol-4-yl)methyl]-3-imidazol-1-yl-4-methylpiperidine?
The canonical SMILES for (3S,4R)-1-[(1-benzylpyrazol-4-yl)methyl]-3-imidazol-1-yl-4-methylpiperidine is C[C@@H]1CCN(Cc2cnn(Cc3ccccc3)c2)C[C@H]1n1ccnc1.
What is the InChIKey of (3S,4R)-1-[(1-benzylpyrazol-4-yl)methyl]-3-imidazol-1-yl-4-methylpiperidine?
The InChIKey is XDMFVFPMTCZCMA-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H25N5/c1-17-7-9-23(15-20(17)24-10-8-21-16-24)12-19-11-22-25(14-19)13-18-5-3-2-4-6-18/h2-6,8,10-11,14,16-17,20H,7,9,12-13,15H2,1H3/t17-,20-/m1/s1.
What are the key properties of (3S,4R)-1-[(1-benzylpyrazol-4-yl)methyl]-3-imidazol-1-yl-4-methylpiperidine?
(3S,4R)-1-[(1-benzylpyrazol-4-yl)methyl]-3-imidazol-1-yl-4-methylpiperidine has a molecular weight of 335.46 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(1-benzylpyrazol-4-yl)methyl]-3-imidazol-1-yl-4-methylpiperidine is sourced from PubChem (CID 124776982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).