(1-methylpyrazol-4-yl)-(1-piperidin-1-ylcyclopentyl)methanone

C15H23N3O — CID 79060407

IUPAC(1-methylpyrazol-4-yl)-(1-piperidin-1-ylcyclopentyl)methanone
SMILESCn1cc(C(=O)C2(N3CCCCC3)CCCC2)cn1
InChIInChI=1S/C15H23N3O/c1-17-12-13(11-16-17)14(19)15(7-3-4-8-15)18-9-5-2-6-10-18/h11-12H,2-10H2,1H3
InChIKeyDHNAXOCZVWIYMG-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.40
Rot. Bonds3

About (1-methylpyrazol-4-yl)-(1-piperidin-1-ylcyclopentyl)methanone

(1-methylpyrazol-4-yl)-(1-piperidin-1-ylcyclopentyl)methanone (PubChem CID 79060407) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-(1-piperidin-1-ylcyclopentyl)methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-(1-piperidin-1-ylcyclopentyl)methanone
PubChem CID79060407
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(1-methylpyrazol-4-yl)-(1-piperidin-1-ylcyclopentyl)methanone
SMILESCn1cc(C(=O)C2(N3CCCCC3)CCCC2)cn1
InChIInChI=1S/C15H23N3O/c1-17-12-13(11-16-17)14(19)15(7-3-4-8-15)18-9-5-2-6-10-18/h11-12H,2-10H2,1H3
InChIKeyDHNAXOCZVWIYMG-UHFFFAOYSA-N
XLogP2.40
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-(1-piperidin-1-ylcyclopentyl)methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-(1-piperidin-1-ylcyclopentyl)methanone (CID 79060407) is (1-methylpyrazol-4-yl)-(1-piperidin-1-ylcyclopentyl)methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-(1-piperidin-1-ylcyclopentyl)methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-(1-piperidin-1-ylcyclopentyl)methanone is Cn1cc(C(=O)C2(N3CCCCC3)CCCC2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-(1-piperidin-1-ylcyclopentyl)methanone?
The InChIKey is DHNAXOCZVWIYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-17-12-13(11-16-17)14(19)15(7-3-4-8-15)18-9-5-2-6-10-18/h11-12H,2-10H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-(1-piperidin-1-ylcyclopentyl)methanone?
(1-methylpyrazol-4-yl)-(1-piperidin-1-ylcyclopentyl)methanone has a molecular weight of 261.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-(1-piperidin-1-ylcyclopentyl)methanone is sourced from PubChem (CID 79060407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).