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

C23H29FN6O — CID 91904872

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-[[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]propanamide
SMILESCc1cc(C)n(CCC(=O)NCC2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)CC2)n1
InChIInChI=1S/C23H29FN6O/c1-16-13-17(2)30(28-16)12-9-23(31)25-15-18-7-10-29(11-8-18)22-14-21(26-27-22)19-3-5-20(24)6-4-19/h3-6,13-14,18H,7-12,15H2,1-2H3,(H,25,31)(H,26,27)
InChIKeyIWQIPXJHTWEYSQ-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.45
Rot. Bonds7

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

3-(3,5-dimethylpyrazol-1-yl)-N-[[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]propanamide (PubChem CID 91904872) has the molecular formula C23H29FN6O and a molecular weight of 424.52 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-[[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-[[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]propanamide
PubChem CID91904872
Molecular FormulaC23H29FN6O
Molecular Weight424.52 g/mol
Exact Mass424.24
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-[[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]propanamide
SMILESCc1cc(C)n(CCC(=O)NCC2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)CC2)n1
InChIInChI=1S/C23H29FN6O/c1-16-13-17(2)30(28-16)12-9-23(31)25-15-18-7-10-29(11-8-18)22-14-21(26-27-22)19-3-5-20(24)6-4-19/h3-6,13-14,18H,7-12,15H2,1-2H3,(H,25,31)(H,26,27)
InChIKeyIWQIPXJHTWEYSQ-UHFFFAOYSA-N
XLogP3.45
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-4-yl]methyl]propanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]propanamide (CID 91904872) is 3-(3,5-dimethylpyrazol-1-yl)-N-[[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-[[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-[[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]propanamide is Cc1cc(C)n(CCC(=O)NCC2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)CC2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-[[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]propanamide?
The InChIKey is IWQIPXJHTWEYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN6O/c1-16-13-17(2)30(28-16)12-9-23(31)25-15-18-7-10-29(11-8-18)22-14-21(26-27-22)19-3-5-20(24)6-4-19/h3-6,13-14,18H,7-12,15H2,1-2H3,(H,25,31)(H,26,27).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-[[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]propanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-[[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]propanamide has a molecular weight of 424.52 g/mol, XLogP of 3.45, 7 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-4-yl]methyl]propanamide is sourced from PubChem (CID 91904872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).