2,2-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine

C7H11F2N3 — CID 115407038

IUPAC2,2-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
SMILESCc1cc(CNCC(F)F)n[nH]1
InChIInChI=1S/C7H11F2N3/c1-5-2-6(12-11-5)3-10-4-7(8)9/h2,7,10H,3-4H2,1H3,(H,11,12)
InChIKeyOGWHTEFEIGWNOU-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.07
Rot. Bonds4

About 2,2-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine

2,2-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine (PubChem CID 115407038) has the molecular formula C7H11F2N3 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2,2-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
PubChem CID115407038
Molecular FormulaC7H11F2N3
Molecular Weight175.18 g/mol
Exact Mass175.09
IUPAC Name2,2-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
SMILESCc1cc(CNCC(F)F)n[nH]1
InChIInChI=1S/C7H11F2N3/c1-5-2-6(12-11-5)3-10-4-7(8)9/h2,7,10H,3-4H2,1H3,(H,11,12)
InChIKeyOGWHTEFEIGWNOU-UHFFFAOYSA-N
XLogP1.07
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine (CID 115407038) is 2,2-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine is Cc1cc(CNCC(F)F)n[nH]1.
What is the InChIKey of 2,2-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine?
The InChIKey is OGWHTEFEIGWNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3/c1-5-2-6(12-11-5)3-10-4-7(8)9/h2,7,10H,3-4H2,1H3,(H,11,12).
What are the key properties of 2,2-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine?
2,2-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine has a molecular weight of 175.18 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 115407038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).