[2-(difluoromethyl)pyrazol-3-yl]-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone

C14H22F2N4O — CID 95891868

IUPAC[2-(difluoromethyl)pyrazol-3-yl]-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone
SMILESCN(C)CC[C@H]1CCCCN1C(=O)c1ccnn1C(F)F
InChIInChI=1S/C14H22F2N4O/c1-18(2)10-7-11-5-3-4-9-19(11)13(21)12-6-8-17-20(12)14(15)16/h6,8,11,14H,3-5,7,9-10H2,1-2H3/t11-/m1/s1
InChIKeyQKYTZEKJPDZHJV-LLVKDONJSA-N
MW300.35 g/mol
LogP2.22
Rot. Bonds5

About [2-(difluoromethyl)pyrazol-3-yl]-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone

[2-(difluoromethyl)pyrazol-3-yl]-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone (PubChem CID 95891868) has the molecular formula C14H22F2N4O and a molecular weight of 300.35 g/mol. Its IUPAC name is [2-(difluoromethyl)pyrazol-3-yl]-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(difluoromethyl)pyrazol-3-yl]-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone
PubChem CID95891868
Molecular FormulaC14H22F2N4O
Molecular Weight300.35 g/mol
Exact Mass300.18
IUPAC Name[2-(difluoromethyl)pyrazol-3-yl]-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone
SMILESCN(C)CC[C@H]1CCCCN1C(=O)c1ccnn1C(F)F
InChIInChI=1S/C14H22F2N4O/c1-18(2)10-7-11-5-3-4-9-19(11)13(21)12-6-8-17-20(12)14(15)16/h6,8,11,14H,3-5,7,9-10H2,1-2H3/t11-/m1/s1
InChIKeyQKYTZEKJPDZHJV-LLVKDONJSA-N
XLogP2.22
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)pyrazol-3-yl]-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone?
The IUPAC name of [2-(difluoromethyl)pyrazol-3-yl]-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone (CID 95891868) is [2-(difluoromethyl)pyrazol-3-yl]-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [2-(difluoromethyl)pyrazol-3-yl]-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for [2-(difluoromethyl)pyrazol-3-yl]-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone is CN(C)CC[C@H]1CCCCN1C(=O)c1ccnn1C(F)F.
What is the InChIKey of [2-(difluoromethyl)pyrazol-3-yl]-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone?
The InChIKey is QKYTZEKJPDZHJV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22F2N4O/c1-18(2)10-7-11-5-3-4-9-19(11)13(21)12-6-8-17-20(12)14(15)16/h6,8,11,14H,3-5,7,9-10H2,1-2H3/t11-/m1/s1.
What are the key properties of [2-(difluoromethyl)pyrazol-3-yl]-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone?
[2-(difluoromethyl)pyrazol-3-yl]-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone has a molecular weight of 300.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)pyrazol-3-yl]-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95891868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).