3-(3,5-dimethylpyrazol-1-yl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]propanamide

C22H27FN6O — CID 91887863

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]propanamide
SMILESCc1cc(C)n(CCC(=O)NC2CCCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)n1
InChIInChI=1S/C22H27FN6O/c1-15-12-16(2)29(27-15)11-9-22(30)24-19-4-3-10-28(14-19)21-13-20(25-26-21)17-5-7-18(23)8-6-17/h5-8,12-13,19H,3-4,9-11,14H2,1-2H3,(H,24,30)(H,25,26)
InChIKeyVFBINDMMNRQPGP-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.20
Rot. Bonds6

About 3-(3,5-dimethylpyrazol-1-yl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]propanamide

3-(3,5-dimethylpyrazol-1-yl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]propanamide (PubChem CID 91887863) has the molecular formula C22H27FN6O and a molecular weight of 410.50 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]propanamide
PubChem CID91887863
Molecular FormulaC22H27FN6O
Molecular Weight410.50 g/mol
Exact Mass410.22
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]propanamide
SMILESCc1cc(C)n(CCC(=O)NC2CCCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)n1
InChIInChI=1S/C22H27FN6O/c1-15-12-16(2)29(27-15)11-9-22(30)24-19-4-3-10-28(14-19)21-13-20(25-26-21)17-5-7-18(23)8-6-17/h5-8,12-13,19H,3-4,9-11,14H2,1-2H3,(H,24,30)(H,25,26)
InChIKeyVFBINDMMNRQPGP-UHFFFAOYSA-N
XLogP3.20
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(3,5-dimethylpyrazol-1-yl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]propanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]propanamide (CID 91887863) is 3-(3,5-dimethylpyrazol-1-yl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]propanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]propanamide is Cc1cc(C)n(CCC(=O)NC2CCCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]propanamide?
The InChIKey is VFBINDMMNRQPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6O/c1-15-12-16(2)29(27-15)11-9-22(30)24-19-4-3-10-28(14-19)21-13-20(25-26-21)17-5-7-18(23)8-6-17/h5-8,12-13,19H,3-4,9-11,14H2,1-2H3,(H,24,30)(H,25,26).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]propanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]propanamide has a molecular weight of 410.50 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]propanamide is sourced from PubChem (CID 91887863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).