[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone

C18H21N5OS — CID 90493607

IUPAC[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1nccn1CC1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1
InChIInChI=1S/C18H21N5OS/c1-13-19-6-9-23(13)12-14-4-7-22(8-5-14)18(24)16-11-15(20-21-16)17-3-2-10-25-17/h2-3,6,9-11,14H,4-5,7-8,12H2,1H3,(H,20,21)
InChIKeyQUXVZPZEDYYAHT-UHFFFAOYSA-N
MW355.47 g/mol
LogP3.20
Rot. Bonds4

About [4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone

[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 90493607) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is [4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID90493607
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1nccn1CC1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1
InChIInChI=1S/C18H21N5OS/c1-13-19-6-9-23(13)12-14-4-7-22(8-5-14)18(24)16-11-15(20-21-16)17-3-2-10-25-17/h2-3,6,9-11,14H,4-5,7-8,12H2,1H3,(H,20,21)
InChIKeyQUXVZPZEDYYAHT-UHFFFAOYSA-N
XLogP3.20
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone (CID 90493607) is [4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone is Cc1nccn1CC1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1.
What is the InChIKey of [4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is QUXVZPZEDYYAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-13-19-6-9-23(13)12-14-4-7-22(8-5-14)18(24)16-11-15(20-21-16)17-3-2-10-25-17/h2-3,6,9-11,14H,4-5,7-8,12H2,1H3,(H,20,21).
What are the key properties of [4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 355.47 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 90493607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).