[3-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

C21H25N5O — CID 91923915

IUPAC[3-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCc1cnc(CC2CCCN(C(=O)c3ccn[nH]3)C2)n1Cc1ccccc1
InChIInChI=1S/C21H25N5O/c1-16-13-22-20(26(16)15-17-6-3-2-4-7-17)12-18-8-5-11-25(14-18)21(27)19-9-10-23-24-19/h2-4,6-7,9-10,13,18H,5,8,11-12,14-15H2,1H3,(H,23,24)
InChIKeyFZLZSPGOSQDRKR-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.06
Rot. Bonds5

About [3-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

[3-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 91923915) has the molecular formula C21H25N5O and a molecular weight of 363.46 g/mol. Its IUPAC name is [3-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID91923915
Molecular FormulaC21H25N5O
Molecular Weight363.46 g/mol
Exact Mass363.21
IUPAC Name[3-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCc1cnc(CC2CCCN(C(=O)c3ccn[nH]3)C2)n1Cc1ccccc1
InChIInChI=1S/C21H25N5O/c1-16-13-22-20(26(16)15-17-6-3-2-4-7-17)12-18-8-5-11-25(14-18)21(27)19-9-10-23-24-19/h2-4,6-7,9-10,13,18H,5,8,11-12,14-15H2,1H3,(H,23,24)
InChIKeyFZLZSPGOSQDRKR-UHFFFAOYSA-N
XLogP3.06
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [3-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 91923915) is [3-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [3-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [3-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is Cc1cnc(CC2CCCN(C(=O)c3ccn[nH]3)C2)n1Cc1ccccc1.
What is the InChIKey of [3-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is FZLZSPGOSQDRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-16-13-22-20(26(16)15-17-6-3-2-4-7-17)12-18-8-5-11-25(14-18)21(27)19-9-10-23-24-19/h2-4,6-7,9-10,13,18H,5,8,11-12,14-15H2,1H3,(H,23,24).
What are the key properties of [3-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[3-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 363.46 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 91923915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).