[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)phenyl]methanone

C19H25N3O2 — CID 56779799

IUPAC[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)phenyl]methanone
SMILESCOCc1ccccc1C(=O)N1CCCC(n2nc(C)cc2C)C1
InChIInChI=1S/C19H25N3O2/c1-14-11-15(2)22(20-14)17-8-6-10-21(12-17)19(23)18-9-5-4-7-16(18)13-24-3/h4-5,7,9,11,17H,6,8,10,12-13H2,1-3H3
InChIKeyPRNJLBKQOISSGI-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.12
Rot. Bonds4

About [3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)phenyl]methanone

[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)phenyl]methanone (PubChem CID 56779799) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)phenyl]methanone
PubChem CID56779799
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)phenyl]methanone
SMILESCOCc1ccccc1C(=O)N1CCCC(n2nc(C)cc2C)C1
InChIInChI=1S/C19H25N3O2/c1-14-11-15(2)22(20-14)17-8-6-10-21(12-17)19(23)18-9-5-4-7-16(18)13-24-3/h4-5,7,9,11,17H,6,8,10,12-13H2,1-3H3
InChIKeyPRNJLBKQOISSGI-UHFFFAOYSA-N
XLogP3.12
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)phenyl]methanone?
The IUPAC name of [3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)phenyl]methanone (CID 56779799) is [3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)phenyl]methanone.
What is the SMILES notation for [3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)phenyl]methanone?
The canonical SMILES for [3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)phenyl]methanone is COCc1ccccc1C(=O)N1CCCC(n2nc(C)cc2C)C1.
What is the InChIKey of [3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)phenyl]methanone?
The InChIKey is PRNJLBKQOISSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-11-15(2)22(20-14)17-8-6-10-21(12-17)19(23)18-9-5-4-7-16(18)13-24-3/h4-5,7,9,11,17H,6,8,10,12-13H2,1-3H3.
What are the key properties of [3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)phenyl]methanone?
[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)phenyl]methanone has a molecular weight of 327.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)phenyl]methanone is sourced from PubChem (CID 56779799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).