[4-amino-1-(2,2-difluoroethyl)pyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone

C12H18F2N4O — CID 132586567

IUPAC[4-amino-1-(2,2-difluoroethyl)pyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2nn(CC(F)F)cc2N)C1
InChIInChI=1S/C12H18F2N4O/c1-8-3-2-4-17(5-8)12(19)11-9(15)6-18(16-11)7-10(13)14/h6,8,10H,2-5,7,15H2,1H3
InChIKeyDMGTXJSJKSVINM-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.60
Rot. Bonds3

About [4-amino-1-(2,2-difluoroethyl)pyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone

[4-amino-1-(2,2-difluoroethyl)pyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 132586567) has the molecular formula C12H18F2N4O and a molecular weight of 272.30 g/mol. Its IUPAC name is [4-amino-1-(2,2-difluoroethyl)pyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-1-(2,2-difluoroethyl)pyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID132586567
Molecular FormulaC12H18F2N4O
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name[4-amino-1-(2,2-difluoroethyl)pyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2nn(CC(F)F)cc2N)C1
InChIInChI=1S/C12H18F2N4O/c1-8-3-2-4-17(5-8)12(19)11-9(15)6-18(16-11)7-10(13)14/h6,8,10H,2-5,7,15H2,1H3
InChIKeyDMGTXJSJKSVINM-UHFFFAOYSA-N
XLogP1.60
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-amino-1-(2,2-difluoroethyl)pyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-amino-1-(2,2-difluoroethyl)pyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone (CID 132586567) is [4-amino-1-(2,2-difluoroethyl)pyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-amino-1-(2,2-difluoroethyl)pyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-amino-1-(2,2-difluoroethyl)pyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2nn(CC(F)F)cc2N)C1.
What is the InChIKey of [4-amino-1-(2,2-difluoroethyl)pyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is DMGTXJSJKSVINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N4O/c1-8-3-2-4-17(5-8)12(19)11-9(15)6-18(16-11)7-10(13)14/h6,8,10H,2-5,7,15H2,1H3.
What are the key properties of [4-amino-1-(2,2-difluoroethyl)pyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone?
[4-amino-1-(2,2-difluoroethyl)pyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 272.30 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-1-(2,2-difluoroethyl)pyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 132586567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).