1-[3-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one

C19H23N3O2 — CID 2960215

IUPAC1-[3-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCCC(=O)N1N=C(c2ccc(C)o2)CC1c1ccc(N(C)C)cc1
InChIInChI=1S/C19H23N3O2/c1-5-19(23)22-17(14-7-9-15(10-8-14)21(3)4)12-16(20-22)18-11-6-13(2)24-18/h6-11,17H,5,12H2,1-4H3
InChIKeyYMTQRSLBFYXZPO-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.74
Rot. Bonds4

About 1-[3-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one

1-[3-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one (PubChem CID 2960215) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[3-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one
PubChem CID2960215
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[3-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCCC(=O)N1N=C(c2ccc(C)o2)CC1c1ccc(N(C)C)cc1
InChIInChI=1S/C19H23N3O2/c1-5-19(23)22-17(14-7-9-15(10-8-14)21(3)4)12-16(20-22)18-11-6-13(2)24-18/h6-11,17H,5,12H2,1-4H3
InChIKeyYMTQRSLBFYXZPO-UHFFFAOYSA-N
XLogP3.74
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The IUPAC name of 1-[3-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one (CID 2960215) is 1-[3-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The canonical SMILES for 1-[3-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one is CCC(=O)N1N=C(c2ccc(C)o2)CC1c1ccc(N(C)C)cc1.
What is the InChIKey of 1-[3-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The InChIKey is YMTQRSLBFYXZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-5-19(23)22-17(14-7-9-15(10-8-14)21(3)4)12-16(20-22)18-11-6-13(2)24-18/h6-11,17H,5,12H2,1-4H3.
What are the key properties of 1-[3-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one?
1-[3-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one has a molecular weight of 325.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(dimethylamino)phenyl]-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one is sourced from PubChem (CID 2960215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).