1-[(2S)-1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-4-methylpiperidine

C22H29N5 — CID 92628639

IUPAC1-[(2S)-1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-4-methylpiperidine
SMILESCC1CCN([C@@H](C)Cn2cncc2-c2cnn(Cc3ccccc3)c2)CC1
InChIInChI=1S/C22H29N5/c1-18-8-10-25(11-9-18)19(2)14-26-17-23-13-22(26)21-12-24-27(16-21)15-20-6-4-3-5-7-20/h3-7,12-13,16-19H,8-11,14-15H2,1-2H3/t19-/m0/s1
InChIKeyIPTCXXPTDUUFSD-IBGZPJMESA-N
MW363.51 g/mol
LogP3.92
Rot. Bonds6

About 1-[(2S)-1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-4-methylpiperidine

1-[(2S)-1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-4-methylpiperidine (PubChem CID 92628639) has the molecular formula C22H29N5 and a molecular weight of 363.51 g/mol. Its IUPAC name is 1-[(2S)-1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[(2S)-1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-4-methylpiperidine
PubChem CID92628639
Molecular FormulaC22H29N5
Molecular Weight363.51 g/mol
Exact Mass363.24
IUPAC Name1-[(2S)-1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-4-methylpiperidine
SMILESCC1CCN([C@@H](C)Cn2cncc2-c2cnn(Cc3ccccc3)c2)CC1
InChIInChI=1S/C22H29N5/c1-18-8-10-25(11-9-18)19(2)14-26-17-23-13-22(26)21-12-24-27(16-21)15-20-6-4-3-5-7-20/h3-7,12-13,16-19H,8-11,14-15H2,1-2H3/t19-/m0/s1
InChIKeyIPTCXXPTDUUFSD-IBGZPJMESA-N
XLogP3.92
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-4-methylpiperidine?
The IUPAC name of 1-[(2S)-1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-4-methylpiperidine (CID 92628639) is 1-[(2S)-1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-4-methylpiperidine.
What is the SMILES notation for 1-[(2S)-1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-4-methylpiperidine?
The canonical SMILES for 1-[(2S)-1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-4-methylpiperidine is CC1CCN([C@@H](C)Cn2cncc2-c2cnn(Cc3ccccc3)c2)CC1.
What is the InChIKey of 1-[(2S)-1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-4-methylpiperidine?
The InChIKey is IPTCXXPTDUUFSD-IBGZPJMESA-N. The full InChI is InChI=1S/C22H29N5/c1-18-8-10-25(11-9-18)19(2)14-26-17-23-13-22(26)21-12-24-27(16-21)15-20-6-4-3-5-7-20/h3-7,12-13,16-19H,8-11,14-15H2,1-2H3/t19-/m0/s1.
What are the key properties of 1-[(2S)-1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-4-methylpiperidine?
1-[(2S)-1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-4-methylpiperidine has a molecular weight of 363.51 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-4-methylpiperidine is sourced from PubChem (CID 92628639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).