(1-methylpyrazol-4-yl)-(3-pyridin-4-ylpiperidin-1-yl)methanone

C15H18N4O — CID 110258824

IUPAC(1-methylpyrazol-4-yl)-(3-pyridin-4-ylpiperidin-1-yl)methanone
SMILESCn1cc(C(=O)N2CCCC(c3ccncc3)C2)cn1
InChIInChI=1S/C15H18N4O/c1-18-10-14(9-17-18)15(20)19-8-2-3-13(11-19)12-4-6-16-7-5-12/h4-7,9-10,13H,2-3,8,11H2,1H3
InChIKeyCDDZRRFHNBMYKW-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.83
Rot. Bonds2

About (1-methylpyrazol-4-yl)-(3-pyridin-4-ylpiperidin-1-yl)methanone

(1-methylpyrazol-4-yl)-(3-pyridin-4-ylpiperidin-1-yl)methanone (PubChem CID 110258824) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-(3-pyridin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-(3-pyridin-4-ylpiperidin-1-yl)methanone
PubChem CID110258824
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name(1-methylpyrazol-4-yl)-(3-pyridin-4-ylpiperidin-1-yl)methanone
SMILESCn1cc(C(=O)N2CCCC(c3ccncc3)C2)cn1
InChIInChI=1S/C15H18N4O/c1-18-10-14(9-17-18)15(20)19-8-2-3-13(11-19)12-4-6-16-7-5-12/h4-7,9-10,13H,2-3,8,11H2,1H3
InChIKeyCDDZRRFHNBMYKW-UHFFFAOYSA-N
XLogP1.83
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.83
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)-(3-pyridin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-(3-pyridin-4-ylpiperidin-1-yl)methanone (CID 110258824) is (1-methylpyrazol-4-yl)-(3-pyridin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-(3-pyridin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-(3-pyridin-4-ylpiperidin-1-yl)methanone is Cn1cc(C(=O)N2CCCC(c3ccncc3)C2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-(3-pyridin-4-ylpiperidin-1-yl)methanone?
The InChIKey is CDDZRRFHNBMYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-18-10-14(9-17-18)15(20)19-8-2-3-13(11-19)12-4-6-16-7-5-12/h4-7,9-10,13H,2-3,8,11H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-(3-pyridin-4-ylpiperidin-1-yl)methanone?
(1-methylpyrazol-4-yl)-(3-pyridin-4-ylpiperidin-1-yl)methanone has a molecular weight of 270.34 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-(3-pyridin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 110258824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).