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

C21H22N4O — CID 18105308

IUPAC(3-methylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
SMILESCC1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)C1
InChIInChI=1S/C21H22N4O/c1-16-7-6-12-24(14-16)21(26)19-15-25(18-9-3-2-4-10-18)23-20(19)17-8-5-11-22-13-17/h2-5,8-11,13,15-16H,6-7,12,14H2,1H3
InChIKeyQASJRIKFXULAHI-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.81
Rot. Bonds3

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

(3-methylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone (PubChem CID 18105308) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
PubChem CID18105308
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name(3-methylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
SMILESCC1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)C1
InChIInChI=1S/C21H22N4O/c1-16-7-6-12-24(14-16)21(26)19-15-25(18-9-3-2-4-10-18)23-20(19)17-8-5-11-22-13-17/h2-5,8-11,13,15-16H,6-7,12,14H2,1H3
InChIKeyQASJRIKFXULAHI-UHFFFAOYSA-N
XLogP3.81
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone (CID 18105308) is (3-methylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone is CC1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone?
The InChIKey is QASJRIKFXULAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-16-7-6-12-24(14-16)21(26)19-15-25(18-9-3-2-4-10-18)23-20(19)17-8-5-11-22-13-17/h2-5,8-11,13,15-16H,6-7,12,14H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone?
(3-methylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone has a molecular weight of 346.43 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 18105308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).