[5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-piperidin-1-ylmethanone

C24H28F2N4O — CID 24901512

IUPAC[5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-piperidin-1-ylmethanone
SMILESNCCCC1(c2ccccc2)CC(c2cc(F)ccc2F)=NN1C(=O)N1CCCCC1
InChIInChI=1S/C24H28F2N4O/c25-19-10-11-21(26)20(16-19)22-17-24(12-7-13-27,18-8-3-1-4-9-18)30(28-22)23(31)29-14-5-2-6-15-29/h1,3-4,8-11,16H,2,5-7,12-15,17,27H2
InChIKeyKDIDLHQVYZHJQM-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.61
Rot. Bonds5

About [5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-piperidin-1-ylmethanone

[5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-piperidin-1-ylmethanone (PubChem CID 24901512) has the molecular formula C24H28F2N4O and a molecular weight of 426.51 g/mol. Its IUPAC name is [5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-piperidin-1-ylmethanone
PubChem CID24901512
Molecular FormulaC24H28F2N4O
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name[5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-piperidin-1-ylmethanone
SMILESNCCCC1(c2ccccc2)CC(c2cc(F)ccc2F)=NN1C(=O)N1CCCCC1
InChIInChI=1S/C24H28F2N4O/c25-19-10-11-21(26)20(16-19)22-17-24(12-7-13-27,18-8-3-1-4-9-18)30(28-22)23(31)29-14-5-2-6-15-29/h1,3-4,8-11,16H,2,5-7,12-15,17,27H2
InChIKeyKDIDLHQVYZHJQM-UHFFFAOYSA-N
XLogP4.61
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-piperidin-1-ylmethanone (CID 24901512) is [5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-piperidin-1-ylmethanone is NCCCC1(c2ccccc2)CC(c2cc(F)ccc2F)=NN1C(=O)N1CCCCC1.
What is the InChIKey of [5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-piperidin-1-ylmethanone?
The InChIKey is KDIDLHQVYZHJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N4O/c25-19-10-11-21(26)20(16-19)22-17-24(12-7-13-27,18-8-3-1-4-9-18)30(28-22)23(31)29-14-5-2-6-15-29/h1,3-4,8-11,16H,2,5-7,12-15,17,27H2.
What are the key properties of [5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-piperidin-1-ylmethanone?
[5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-piperidin-1-ylmethanone has a molecular weight of 426.51 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 24901512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).