[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone

C19H25N3OS — CID 52906680

IUPAC[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESO=C(N1CCC(Cn2cccn2)CC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C19H25N3OS/c23-18(19(8-1-2-9-19)17-5-3-14-24-17)21-12-6-16(7-13-21)15-22-11-4-10-20-22/h3-5,10-11,14,16H,1-2,6-9,12-13,15H2
InChIKeyFZWUIBJQTINUHL-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.70
Rot. Bonds4

About [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone

[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (PubChem CID 52906680) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.

Molecular Properties

Compound Name[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
PubChem CID52906680
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESO=C(N1CCC(Cn2cccn2)CC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C19H25N3OS/c23-18(19(8-1-2-9-19)17-5-3-14-24-17)21-12-6-16(7-13-21)15-22-11-4-10-20-22/h3-5,10-11,14,16H,1-2,6-9,12-13,15H2
InChIKeyFZWUIBJQTINUHL-UHFFFAOYSA-N
XLogP3.70
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The IUPAC name of [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (CID 52906680) is [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.
What is the SMILES notation for [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The canonical SMILES for [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is O=C(N1CCC(Cn2cccn2)CC1)C1(c2cccs2)CCCC1.
What is the InChIKey of [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The InChIKey is FZWUIBJQTINUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c23-18(19(8-1-2-9-19)17-5-3-14-24-17)21-12-6-16(7-13-21)15-22-11-4-10-20-22/h3-5,10-11,14,16H,1-2,6-9,12-13,15H2.
What are the key properties of [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone has a molecular weight of 343.50 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is sourced from PubChem (CID 52906680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).