[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone

C19H25N3O2S — CID 70745670

IUPAC[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone
SMILESCCc1cn[nH]c1C1CCN(C(=O)c2ccc(C3CCCO3)s2)CC1
InChIInChI=1S/C19H25N3O2S/c1-2-13-12-20-21-18(13)14-7-9-22(10-8-14)19(23)17-6-5-16(25-17)15-4-3-11-24-15/h5-6,12,14-15H,2-4,7-11H2,1H3,(H,20,21)
InChIKeyLYRSGODRMFLGQD-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.90
Rot. Bonds4

About [4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone

[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone (PubChem CID 70745670) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is [4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone
PubChem CID70745670
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone
SMILESCCc1cn[nH]c1C1CCN(C(=O)c2ccc(C3CCCO3)s2)CC1
InChIInChI=1S/C19H25N3O2S/c1-2-13-12-20-21-18(13)14-7-9-22(10-8-14)19(23)17-6-5-16(25-17)15-4-3-11-24-15/h5-6,12,14-15H,2-4,7-11H2,1H3,(H,20,21)
InChIKeyLYRSGODRMFLGQD-UHFFFAOYSA-N
XLogP3.90
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone?
The IUPAC name of [4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone (CID 70745670) is [4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone.
What is the SMILES notation for [4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone?
The canonical SMILES for [4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone is CCc1cn[nH]c1C1CCN(C(=O)c2ccc(C3CCCO3)s2)CC1.
What is the InChIKey of [4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone?
The InChIKey is LYRSGODRMFLGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-2-13-12-20-21-18(13)14-7-9-22(10-8-14)19(23)17-6-5-16(25-17)15-4-3-11-24-15/h5-6,12,14-15H,2-4,7-11H2,1H3,(H,20,21).
What are the key properties of [4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone?
[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone has a molecular weight of 359.50 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone is sourced from PubChem (CID 70745670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).