(2-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone

C19H26N4O — CID 24817204

IUPAC(2-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
SMILESCC(C)c1ccc(NC2CCCN(C(=O)c3ccnn3C)C2)cc1
InChIInChI=1S/C19H26N4O/c1-14(2)15-6-8-16(9-7-15)21-17-5-4-12-23(13-17)19(24)18-10-11-20-22(18)3/h6-11,14,17,21H,4-5,12-13H2,1-3H3
InChIKeyBUGBFXXKPGUIGB-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.26
Rot. Bonds4

About (2-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone

(2-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone (PubChem CID 24817204) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
PubChem CID24817204
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(2-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
SMILESCC(C)c1ccc(NC2CCCN(C(=O)c3ccnn3C)C2)cc1
InChIInChI=1S/C19H26N4O/c1-14(2)15-6-8-16(9-7-15)21-17-5-4-12-23(13-17)19(24)18-10-11-20-22(18)3/h6-11,14,17,21H,4-5,12-13H2,1-3H3
InChIKeyBUGBFXXKPGUIGB-UHFFFAOYSA-N
XLogP3.26
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone (CID 24817204) is (2-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone is CC(C)c1ccc(NC2CCCN(C(=O)c3ccnn3C)C2)cc1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone?
The InChIKey is BUGBFXXKPGUIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14(2)15-6-8-16(9-7-15)21-17-5-4-12-23(13-17)19(24)18-10-11-20-22(18)3/h6-11,14,17,21H,4-5,12-13H2,1-3H3.
What are the key properties of (2-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone?
(2-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone has a molecular weight of 326.44 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 24817204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).