2-amino-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone

C19H26N4O — CID 120670092

IUPAC2-amino-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCCn1cc(C2CCN(C(=O)C(N)c3ccc(C)cc3)CC2)cn1
InChIInChI=1S/C19H26N4O/c1-3-23-13-17(12-21-23)15-8-10-22(11-9-15)19(24)18(20)16-6-4-14(2)5-7-16/h4-7,12-13,15,18H,3,8-11,20H2,1-2H3
InChIKeyQDJAHBSBESVPTL-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.62
Rot. Bonds4

About 2-amino-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone

2-amino-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone (PubChem CID 120670092) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-amino-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
PubChem CID120670092
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-amino-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCCn1cc(C2CCN(C(=O)C(N)c3ccc(C)cc3)CC2)cn1
InChIInChI=1S/C19H26N4O/c1-3-23-13-17(12-21-23)15-8-10-22(11-9-15)19(24)18(20)16-6-4-14(2)5-7-16/h4-7,12-13,15,18H,3,8-11,20H2,1-2H3
InChIKeyQDJAHBSBESVPTL-UHFFFAOYSA-N
XLogP2.62
TPSA64.15 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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 2-amino-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone (CID 120670092) is 2-amino-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 2-amino-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone is CCn1cc(C2CCN(C(=O)C(N)c3ccc(C)cc3)CC2)cn1.
What is the InChIKey of 2-amino-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is QDJAHBSBESVPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-23-13-17(12-21-23)15-8-10-22(11-9-15)19(24)18(20)16-6-4-14(2)5-7-16/h4-7,12-13,15,18H,3,8-11,20H2,1-2H3.
What are the key properties of 2-amino-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone?
2-amino-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 326.44 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 120670092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).