1-(2,2-difluoroethyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrazol-3-amine

C13H22F2N4 — CID 75516856

IUPAC1-(2,2-difluoroethyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrazol-3-amine
SMILESCC(Nc1ccn(CC(F)F)n1)C1CCN(C)CC1
InChIInChI=1S/C13H22F2N4/c1-10(11-3-6-18(2)7-4-11)16-13-5-8-19(17-13)9-12(14)15/h5,8,10-12H,3-4,6-7,9H2,1-2H3,(H,16,17)
InChIKeyOTIGBQPQIQQFRV-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.29
Rot. Bonds5

About 1-(2,2-difluoroethyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrazol-3-amine

1-(2,2-difluoroethyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrazol-3-amine (PubChem CID 75516856) has the molecular formula C13H22F2N4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrazol-3-amine
PubChem CID75516856
Molecular FormulaC13H22F2N4
Molecular Weight272.34 g/mol
Exact Mass272.18
IUPAC Name1-(2,2-difluoroethyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrazol-3-amine
SMILESCC(Nc1ccn(CC(F)F)n1)C1CCN(C)CC1
InChIInChI=1S/C13H22F2N4/c1-10(11-3-6-18(2)7-4-11)16-13-5-8-19(17-13)9-12(14)15/h5,8,10-12H,3-4,6-7,9H2,1-2H3,(H,16,17)
InChIKeyOTIGBQPQIQQFRV-UHFFFAOYSA-N
XLogP2.29
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrazol-3-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrazol-3-amine (CID 75516856) is 1-(2,2-difluoroethyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrazol-3-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrazol-3-amine is CC(Nc1ccn(CC(F)F)n1)C1CCN(C)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrazol-3-amine?
The InChIKey is OTIGBQPQIQQFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N4/c1-10(11-3-6-18(2)7-4-11)16-13-5-8-19(17-13)9-12(14)15/h5,8,10-12H,3-4,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of 1-(2,2-difluoroethyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrazol-3-amine?
1-(2,2-difluoroethyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrazol-3-amine has a molecular weight of 272.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrazol-3-amine is sourced from PubChem (CID 75516856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).