[4,4-difluoro-2-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone

C17H26F2N4O2 — CID 166315987

IUPAC[4,4-difluoro-2-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone
SMILESO=C(c1cnn(CCN2CCCCC2)c1)N1CC(F)(F)CC1CCO
InChIInChI=1S/C17H26F2N4O2/c18-17(19)10-15(4-9-24)23(13-17)16(25)14-11-20-22(12-14)8-7-21-5-2-1-3-6-21/h11-12,15,24H,1-10,13H2
InChIKeyMHBAOEOBGRSMRQ-UHFFFAOYSA-N
MW356.42 g/mol
LogP1.60
Rot. Bonds6

About [4,4-difluoro-2-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone

[4,4-difluoro-2-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone (PubChem CID 166315987) has the molecular formula C17H26F2N4O2 and a molecular weight of 356.42 g/mol. Its IUPAC name is [4,4-difluoro-2-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[4,4-difluoro-2-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone
PubChem CID166315987
Molecular FormulaC17H26F2N4O2
Molecular Weight356.42 g/mol
Exact Mass356.20
IUPAC Name[4,4-difluoro-2-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone
SMILESO=C(c1cnn(CCN2CCCCC2)c1)N1CC(F)(F)CC1CCO
InChIInChI=1S/C17H26F2N4O2/c18-17(19)10-15(4-9-24)23(13-17)16(25)14-11-20-22(12-14)8-7-21-5-2-1-3-6-21/h11-12,15,24H,1-10,13H2
InChIKeyMHBAOEOBGRSMRQ-UHFFFAOYSA-N
XLogP1.60
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4,4-difluoro-2-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone 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 [4,4-difluoro-2-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone?
The IUPAC name of [4,4-difluoro-2-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone (CID 166315987) is [4,4-difluoro-2-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone.
What is the SMILES notation for [4,4-difluoro-2-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone?
The canonical SMILES for [4,4-difluoro-2-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone is O=C(c1cnn(CCN2CCCCC2)c1)N1CC(F)(F)CC1CCO.
What is the InChIKey of [4,4-difluoro-2-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone?
The InChIKey is MHBAOEOBGRSMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N4O2/c18-17(19)10-15(4-9-24)23(13-17)16(25)14-11-20-22(12-14)8-7-21-5-2-1-3-6-21/h11-12,15,24H,1-10,13H2.
What are the key properties of [4,4-difluoro-2-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone?
[4,4-difluoro-2-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone has a molecular weight of 356.42 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-difluoro-2-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 166315987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).