3-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one

C19H25FN4O — CID 24791005

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CCCC(Nc3ccc(F)cc3)C2)n1
InChIInChI=1S/C19H25FN4O/c1-14-12-15(2)24(22-14)11-9-19(25)23-10-3-4-18(13-23)21-17-7-5-16(20)6-8-17/h5-8,12,18,21H,3-4,9-11,13H2,1-2H3
InChIKeyHWYRPXQSKPZWHD-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.13
Rot. Bonds5

About 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one

3-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one (PubChem CID 24791005) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one
PubChem CID24791005
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CCCC(Nc3ccc(F)cc3)C2)n1
InChIInChI=1S/C19H25FN4O/c1-14-12-15(2)24(22-14)11-9-19(25)23-10-3-4-18(13-23)21-17-7-5-16(20)6-8-17/h5-8,12,18,21H,3-4,9-11,13H2,1-2H3
InChIKeyHWYRPXQSKPZWHD-UHFFFAOYSA-N
XLogP3.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one (CID 24791005) is 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one is Cc1cc(C)n(CCC(=O)N2CCCC(Nc3ccc(F)cc3)C2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one?
The InChIKey is HWYRPXQSKPZWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-14-12-15(2)24(22-14)11-9-19(25)23-10-3-4-18(13-23)21-17-7-5-16(20)6-8-17/h5-8,12,18,21H,3-4,9-11,13H2,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one?
3-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one has a molecular weight of 344.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-fluoroanilino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 24791005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).