(4-propan-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone

C12H19N3O — CID 103692709

IUPAC(4-propan-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C12H19N3O/c1-9(2)10-3-5-15(6-4-10)12(16)11-7-13-14-8-11/h7-10H,3-6H2,1-2H3,(H,13,14)
InChIKeyFRZZEQHGINIVSA-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.92
Rot. Bonds2

About (4-propan-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone

(4-propan-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone (PubChem CID 103692709) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (4-propan-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-propan-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
PubChem CID103692709
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(4-propan-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C12H19N3O/c1-9(2)10-3-5-15(6-4-10)12(16)11-7-13-14-8-11/h7-10H,3-6H2,1-2H3,(H,13,14)
InChIKeyFRZZEQHGINIVSA-UHFFFAOYSA-N
XLogP1.92
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone?
The IUPAC name of (4-propan-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone (CID 103692709) is (4-propan-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (4-propan-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for (4-propan-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone is CC(C)C1CCN(C(=O)c2cn[nH]c2)CC1.
What is the InChIKey of (4-propan-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone?
The InChIKey is FRZZEQHGINIVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(2)10-3-5-15(6-4-10)12(16)11-7-13-14-8-11/h7-10H,3-6H2,1-2H3,(H,13,14).
What are the key properties of (4-propan-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone?
(4-propan-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone has a molecular weight of 221.30 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 103692709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).