4-(dimethylamino)-1-(1-phenyl-5-propan-2-ylpyrazol-4-yl)butan-1-ol

C18H27N3O — CID 10447612

IUPAC4-(dimethylamino)-1-(1-phenyl-5-propan-2-ylpyrazol-4-yl)butan-1-ol
SMILESCC(C)c1c(C(O)CCCN(C)C)cnn1-c1ccccc1
InChIInChI=1S/C18H27N3O/c1-14(2)18-16(17(22)11-8-12-20(3)4)13-19-21(18)15-9-6-5-7-10-15/h5-7,9-10,13-14,17,22H,8,11-12H2,1-4H3
InChIKeyWUJAEQUEMVLPJO-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.37
Rot. Bonds7

About 4-(dimethylamino)-1-(1-phenyl-5-propan-2-ylpyrazol-4-yl)butan-1-ol

4-(dimethylamino)-1-(1-phenyl-5-propan-2-ylpyrazol-4-yl)butan-1-ol (PubChem CID 10447612) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-(dimethylamino)-1-(1-phenyl-5-propan-2-ylpyrazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name4-(dimethylamino)-1-(1-phenyl-5-propan-2-ylpyrazol-4-yl)butan-1-ol
PubChem CID10447612
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name4-(dimethylamino)-1-(1-phenyl-5-propan-2-ylpyrazol-4-yl)butan-1-ol
SMILESCC(C)c1c(C(O)CCCN(C)C)cnn1-c1ccccc1
InChIInChI=1S/C18H27N3O/c1-14(2)18-16(17(22)11-8-12-20(3)4)13-19-21(18)15-9-6-5-7-10-15/h5-7,9-10,13-14,17,22H,8,11-12H2,1-4H3
InChIKeyWUJAEQUEMVLPJO-UHFFFAOYSA-N
XLogP3.37
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-(1-phenyl-5-propan-2-ylpyrazol-4-yl)butan-1-ol?
The IUPAC name of 4-(dimethylamino)-1-(1-phenyl-5-propan-2-ylpyrazol-4-yl)butan-1-ol (CID 10447612) is 4-(dimethylamino)-1-(1-phenyl-5-propan-2-ylpyrazol-4-yl)butan-1-ol.
What is the SMILES notation for 4-(dimethylamino)-1-(1-phenyl-5-propan-2-ylpyrazol-4-yl)butan-1-ol?
The canonical SMILES for 4-(dimethylamino)-1-(1-phenyl-5-propan-2-ylpyrazol-4-yl)butan-1-ol is CC(C)c1c(C(O)CCCN(C)C)cnn1-c1ccccc1.
What is the InChIKey of 4-(dimethylamino)-1-(1-phenyl-5-propan-2-ylpyrazol-4-yl)butan-1-ol?
The InChIKey is WUJAEQUEMVLPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14(2)18-16(17(22)11-8-12-20(3)4)13-19-21(18)15-9-6-5-7-10-15/h5-7,9-10,13-14,17,22H,8,11-12H2,1-4H3.
What are the key properties of 4-(dimethylamino)-1-(1-phenyl-5-propan-2-ylpyrazol-4-yl)butan-1-ol?
4-(dimethylamino)-1-(1-phenyl-5-propan-2-ylpyrazol-4-yl)butan-1-ol has a molecular weight of 301.43 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-(1-phenyl-5-propan-2-ylpyrazol-4-yl)butan-1-ol is sourced from PubChem (CID 10447612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).