1-(2,2-difluoroethyl)-N-pentan-3-ylpyrazol-3-amine

C10H17F2N3 — CID 75483532

IUPAC1-(2,2-difluoroethyl)-N-pentan-3-ylpyrazol-3-amine
SMILESCCC(CC)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C10H17F2N3/c1-3-8(4-2)13-10-5-6-15(14-10)7-9(11)12/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyYUYXTWUXCVSYAN-UHFFFAOYSA-N
MW217.26 g/mol
LogP2.75
Rot. Bonds6

About 1-(2,2-difluoroethyl)-N-pentan-3-ylpyrazol-3-amine

1-(2,2-difluoroethyl)-N-pentan-3-ylpyrazol-3-amine (PubChem CID 75483532) has the molecular formula C10H17F2N3 and a molecular weight of 217.26 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-pentan-3-ylpyrazol-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-pentan-3-ylpyrazol-3-amine
PubChem CID75483532
Molecular FormulaC10H17F2N3
Molecular Weight217.26 g/mol
Exact Mass217.14
IUPAC Name1-(2,2-difluoroethyl)-N-pentan-3-ylpyrazol-3-amine
SMILESCCC(CC)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C10H17F2N3/c1-3-8(4-2)13-10-5-6-15(14-10)7-9(11)12/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyYUYXTWUXCVSYAN-UHFFFAOYSA-N
XLogP2.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-pentan-3-ylpyrazol-3-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-pentan-3-ylpyrazol-3-amine (CID 75483532) is 1-(2,2-difluoroethyl)-N-pentan-3-ylpyrazol-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-pentan-3-ylpyrazol-3-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-pentan-3-ylpyrazol-3-amine is CCC(CC)Nc1ccn(CC(F)F)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-pentan-3-ylpyrazol-3-amine?
The InChIKey is YUYXTWUXCVSYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3/c1-3-8(4-2)13-10-5-6-15(14-10)7-9(11)12/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of 1-(2,2-difluoroethyl)-N-pentan-3-ylpyrazol-3-amine?
1-(2,2-difluoroethyl)-N-pentan-3-ylpyrazol-3-amine has a molecular weight of 217.26 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-pentan-3-ylpyrazol-3-amine is sourced from PubChem (CID 75483532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).