[4-(dimethylamino)piperidin-1-yl]-[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]methanone

C19H26N4O2 — CID 71040670

IUPAC[4-(dimethylamino)piperidin-1-yl]-[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]methanone
SMILESCc1nn(-c2cccc(O)c2)c(C)c1C(=O)N1CCC(N(C)C)CC1
InChIInChI=1S/C19H26N4O2/c1-13-18(19(25)22-10-8-15(9-11-22)21(3)4)14(2)23(20-13)16-6-5-7-17(24)12-16/h5-7,12,15,24H,8-11H2,1-4H3
InChIKeyXUPIQYMUNGAHTL-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.36
Rot. Bonds3

About [4-(dimethylamino)piperidin-1-yl]-[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]methanone

[4-(dimethylamino)piperidin-1-yl]-[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]methanone (PubChem CID 71040670) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is [4-(dimethylamino)piperidin-1-yl]-[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)piperidin-1-yl]-[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]methanone
PubChem CID71040670
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name[4-(dimethylamino)piperidin-1-yl]-[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]methanone
SMILESCc1nn(-c2cccc(O)c2)c(C)c1C(=O)N1CCC(N(C)C)CC1
InChIInChI=1S/C19H26N4O2/c1-13-18(19(25)22-10-8-15(9-11-22)21(3)4)14(2)23(20-13)16-6-5-7-17(24)12-16/h5-7,12,15,24H,8-11H2,1-4H3
InChIKeyXUPIQYMUNGAHTL-UHFFFAOYSA-N
XLogP2.36
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)piperidin-1-yl]-[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]methanone?
The IUPAC name of [4-(dimethylamino)piperidin-1-yl]-[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]methanone (CID 71040670) is [4-(dimethylamino)piperidin-1-yl]-[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)piperidin-1-yl]-[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]methanone?
The canonical SMILES for [4-(dimethylamino)piperidin-1-yl]-[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]methanone is Cc1nn(-c2cccc(O)c2)c(C)c1C(=O)N1CCC(N(C)C)CC1.
What is the InChIKey of [4-(dimethylamino)piperidin-1-yl]-[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]methanone?
The InChIKey is XUPIQYMUNGAHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-18(19(25)22-10-8-15(9-11-22)21(3)4)14(2)23(20-13)16-6-5-7-17(24)12-16/h5-7,12,15,24H,8-11H2,1-4H3.
What are the key properties of [4-(dimethylamino)piperidin-1-yl]-[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]methanone?
[4-(dimethylamino)piperidin-1-yl]-[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]methanone has a molecular weight of 342.44 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)piperidin-1-yl]-[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]methanone is sourced from PubChem (CID 71040670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).