3-[(1-ethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol

C9H15F2N3O — CID 103731572

IUPAC3-[(1-ethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
SMILESCCn1cc(CNCC(O)C(F)F)cn1
InChIInChI=1S/C9H15F2N3O/c1-2-14-6-7(4-13-14)3-12-5-8(15)9(10)11/h4,6,8-9,12,15H,2-3,5H2,1H3
InChIKeySMMQCVFXWHWPSV-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.62
Rot. Bonds6

About 3-[(1-ethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol

3-[(1-ethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol (PubChem CID 103731572) has the molecular formula C9H15F2N3O and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-[(1-ethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[(1-ethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
PubChem CID103731572
Molecular FormulaC9H15F2N3O
Molecular Weight219.24 g/mol
Exact Mass219.12
IUPAC Name3-[(1-ethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
SMILESCCn1cc(CNCC(O)C(F)F)cn1
InChIInChI=1S/C9H15F2N3O/c1-2-14-6-7(4-13-14)3-12-5-8(15)9(10)11/h4,6,8-9,12,15H,2-3,5H2,1H3
InChIKeySMMQCVFXWHWPSV-UHFFFAOYSA-N
XLogP0.62
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966858
2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115655686
2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115622207
3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]hexan-1-ol
CID 113244969
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol
CID 19627439
2-[(1-ethylpyrazol-4-yl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 111117940
1-[(1-ethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
CID 63962764
N-[(1-ethylpyrazol-4-yl)methyl]-2-methylsulfanylethanamine
CID 63966878
N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588596
N-[(1-ethylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 62126512
2-[(1-ethylpyrazol-4-yl)methylamino]-N-propylacetamide
CID 62125646

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[(1-ethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol (CID 103731572) is 3-[(1-ethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[(1-ethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[(1-ethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol is CCn1cc(CNCC(O)C(F)F)cn1.
What is the InChIKey of 3-[(1-ethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol?
The InChIKey is SMMQCVFXWHWPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O/c1-2-14-6-7(4-13-14)3-12-5-8(15)9(10)11/h4,6,8-9,12,15H,2-3,5H2,1H3.
What are the key properties of 3-[(1-ethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol?
3-[(1-ethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol has a molecular weight of 219.24 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 103731572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).