(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone

C15H18N4O — CID 71852195

IUPAC(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone
SMILESCC1CCN(C(=O)c2cnn(-c3cccnc3)c2)CC1
InChIInChI=1S/C15H18N4O/c1-12-4-7-18(8-5-12)15(20)13-9-17-19(11-13)14-3-2-6-16-10-14/h2-3,6,9-12H,4-5,7-8H2,1H3
InChIKeyUSWJJAWQLPBVAT-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.14
Rot. Bonds2

About (4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone

(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone (PubChem CID 71852195) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone
PubChem CID71852195
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone
SMILESCC1CCN(C(=O)c2cnn(-c3cccnc3)c2)CC1
InChIInChI=1S/C15H18N4O/c1-12-4-7-18(8-5-12)15(20)13-9-17-19(11-13)14-3-2-6-16-10-14/h2-3,6,9-12H,4-5,7-8H2,1H3
InChIKeyUSWJJAWQLPBVAT-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone (CID 71852195) is (4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone is CC1CCN(C(=O)c2cnn(-c3cccnc3)c2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone?
The InChIKey is USWJJAWQLPBVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-12-4-7-18(8-5-12)15(20)13-9-17-19(11-13)14-3-2-6-16-10-14/h2-3,6,9-12H,4-5,7-8H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone?
(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone has a molecular weight of 270.34 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 71852195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).