1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methoxy]-1,1-difluoro-N-methylmethanamine

C10H15F2N3O — CID 68641258

IUPAC1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methoxy]-1,1-difluoro-N-methylmethanamine
SMILESCNC(F)(F)OCc1cc(C2CC2)nn1C
InChIInChI=1S/C10H15F2N3O/c1-13-10(11,12)16-6-8-5-9(7-3-4-7)14-15(8)2/h5,7,13H,3-4,6H2,1-2H3
InChIKeyAJZNUDSBYFOVBX-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.58
Rot. Bonds5

About 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methoxy]-1,1-difluoro-N-methylmethanamine

1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methoxy]-1,1-difluoro-N-methylmethanamine (PubChem CID 68641258) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methoxy]-1,1-difluoro-N-methylmethanamine.

Molecular Properties

Compound Name1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methoxy]-1,1-difluoro-N-methylmethanamine
PubChem CID68641258
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methoxy]-1,1-difluoro-N-methylmethanamine
SMILESCNC(F)(F)OCc1cc(C2CC2)nn1C
InChIInChI=1S/C10H15F2N3O/c1-13-10(11,12)16-6-8-5-9(7-3-4-7)14-15(8)2/h5,7,13H,3-4,6H2,1-2H3
InChIKeyAJZNUDSBYFOVBX-UHFFFAOYSA-N
XLogP1.58
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)methanol
CID 25247625
3-Cyclopropyl-5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole
CID 58044357
3-Cyclopropyl-5-(1,1-difluoropropoxymethyl)-1-methylpyrazole
CID 90124946
3-(1,1-Difluoroethyl)-5-(methoxymethyl)-1-propan-2-ylpyrazole
CID 90162097
3-Cyclopropyl-5-(1,1-difluoroethoxymethyl)-1-methylpyrazole
CID 124029126
3-[Fluoro(trifluoromethoxy)methyl]-1-methyl-5-(1,1,2,2,2-pentafluoroethyl)pyrazole
CID 124159479
1-(2-Methoxyethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole
CID 126764366
1-(Methoxymethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole
CID 126764390
3-(1,1-Difluoroethyl)-1-ethyl-5-(propoxymethyl)pyrazole;ethane
CID 164861912
[5-(1,1-Difluorobutan-2-yl)-1-methylpyrazol-3-yl]methanol
CID 176717759
1-(2,2,2-Trifluoroethyl)-3-(methoxymethyl)-5-isopropyl-1H-pyrazole
CID 101017767
methyl 1-(cyclopropylmethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carbimidate
CID 121210663

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methoxy]-1,1-difluoro-N-methylmethanamine?
The IUPAC name of 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methoxy]-1,1-difluoro-N-methylmethanamine (CID 68641258) is 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methoxy]-1,1-difluoro-N-methylmethanamine.
What is the SMILES notation for 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methoxy]-1,1-difluoro-N-methylmethanamine?
The canonical SMILES for 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methoxy]-1,1-difluoro-N-methylmethanamine is CNC(F)(F)OCc1cc(C2CC2)nn1C.
What is the InChIKey of 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methoxy]-1,1-difluoro-N-methylmethanamine?
The InChIKey is AJZNUDSBYFOVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c1-13-10(11,12)16-6-8-5-9(7-3-4-7)14-15(8)2/h5,7,13H,3-4,6H2,1-2H3.
What are the key properties of 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methoxy]-1,1-difluoro-N-methylmethanamine?
1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methoxy]-1,1-difluoro-N-methylmethanamine has a molecular weight of 231.25 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methoxy]-1,1-difluoro-N-methylmethanamine is sourced from PubChem (CID 68641258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).