1-[3-methyl-1-phenyl-5-(propylamino)pyrazol-4-yl]-3-phenylpropan-1-one

C22H25N3O — CID 10497861

IUPAC1-[3-methyl-1-phenyl-5-(propylamino)pyrazol-4-yl]-3-phenylpropan-1-one
SMILESCCCNc1c(C(=O)CCc2ccccc2)c(C)nn1-c1ccccc1
InChIInChI=1S/C22H25N3O/c1-3-16-23-22-21(20(26)15-14-18-10-6-4-7-11-18)17(2)24-25(22)19-12-8-5-9-13-19/h4-13,23H,3,14-16H2,1-2H3
InChIKeyKIPITOIBQZEFPC-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.82
Rot. Bonds8

About 1-[3-methyl-1-phenyl-5-(propylamino)pyrazol-4-yl]-3-phenylpropan-1-one

1-[3-methyl-1-phenyl-5-(propylamino)pyrazol-4-yl]-3-phenylpropan-1-one (PubChem CID 10497861) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[3-methyl-1-phenyl-5-(propylamino)pyrazol-4-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[3-methyl-1-phenyl-5-(propylamino)pyrazol-4-yl]-3-phenylpropan-1-one
PubChem CID10497861
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name1-[3-methyl-1-phenyl-5-(propylamino)pyrazol-4-yl]-3-phenylpropan-1-one
SMILESCCCNc1c(C(=O)CCc2ccccc2)c(C)nn1-c1ccccc1
InChIInChI=1S/C22H25N3O/c1-3-16-23-22-21(20(26)15-14-18-10-6-4-7-11-18)17(2)24-25(22)19-12-8-5-9-13-19/h4-13,23H,3,14-16H2,1-2H3
InChIKeyKIPITOIBQZEFPC-UHFFFAOYSA-N
XLogP4.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-1-phenyl-5-(propylamino)pyrazol-4-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[3-methyl-1-phenyl-5-(propylamino)pyrazol-4-yl]-3-phenylpropan-1-one (CID 10497861) is 1-[3-methyl-1-phenyl-5-(propylamino)pyrazol-4-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[3-methyl-1-phenyl-5-(propylamino)pyrazol-4-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[3-methyl-1-phenyl-5-(propylamino)pyrazol-4-yl]-3-phenylpropan-1-one is CCCNc1c(C(=O)CCc2ccccc2)c(C)nn1-c1ccccc1.
What is the InChIKey of 1-[3-methyl-1-phenyl-5-(propylamino)pyrazol-4-yl]-3-phenylpropan-1-one?
The InChIKey is KIPITOIBQZEFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-3-16-23-22-21(20(26)15-14-18-10-6-4-7-11-18)17(2)24-25(22)19-12-8-5-9-13-19/h4-13,23H,3,14-16H2,1-2H3.
What are the key properties of 1-[3-methyl-1-phenyl-5-(propylamino)pyrazol-4-yl]-3-phenylpropan-1-one?
1-[3-methyl-1-phenyl-5-(propylamino)pyrazol-4-yl]-3-phenylpropan-1-one has a molecular weight of 347.46 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-1-phenyl-5-(propylamino)pyrazol-4-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 10497861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).