(4-ethylpiperidin-4-yl)-(1-propylpyrazol-4-yl)methanone

C14H23N3O — CID 116567933

IUPAC(4-ethylpiperidin-4-yl)-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)C2(CC)CCNCC2)cn1
InChIInChI=1S/C14H23N3O/c1-3-9-17-11-12(10-16-17)13(18)14(4-2)5-7-15-8-6-14/h10-11,15H,3-9H2,1-2H3
InChIKeyJTHGWQDNPVWHPP-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.26
Rot. Bonds5

About (4-ethylpiperidin-4-yl)-(1-propylpyrazol-4-yl)methanone

(4-ethylpiperidin-4-yl)-(1-propylpyrazol-4-yl)methanone (PubChem CID 116567933) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (4-ethylpiperidin-4-yl)-(1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperidin-4-yl)-(1-propylpyrazol-4-yl)methanone
PubChem CID116567933
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(4-ethylpiperidin-4-yl)-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)C2(CC)CCNCC2)cn1
InChIInChI=1S/C14H23N3O/c1-3-9-17-11-12(10-16-17)13(18)14(4-2)5-7-15-8-6-14/h10-11,15H,3-9H2,1-2H3
InChIKeyJTHGWQDNPVWHPP-UHFFFAOYSA-N
XLogP2.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperidin-4-yl)-(1-propylpyrazol-4-yl)methanone?
The IUPAC name of (4-ethylpiperidin-4-yl)-(1-propylpyrazol-4-yl)methanone (CID 116567933) is (4-ethylpiperidin-4-yl)-(1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for (4-ethylpiperidin-4-yl)-(1-propylpyrazol-4-yl)methanone?
The canonical SMILES for (4-ethylpiperidin-4-yl)-(1-propylpyrazol-4-yl)methanone is CCCn1cc(C(=O)C2(CC)CCNCC2)cn1.
What is the InChIKey of (4-ethylpiperidin-4-yl)-(1-propylpyrazol-4-yl)methanone?
The InChIKey is JTHGWQDNPVWHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-9-17-11-12(10-16-17)13(18)14(4-2)5-7-15-8-6-14/h10-11,15H,3-9H2,1-2H3.
What are the key properties of (4-ethylpiperidin-4-yl)-(1-propylpyrazol-4-yl)methanone?
(4-ethylpiperidin-4-yl)-(1-propylpyrazol-4-yl)methanone has a molecular weight of 249.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperidin-4-yl)-(1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 116567933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).