1-(2,2-difluoroethyl)-3-(2-methoxyethyl)pyrazol-4-amine

C8H13F2N3O — CID 146569727

IUPAC1-(2,2-difluoroethyl)-3-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCc1nn(CC(F)F)cc1N
InChIInChI=1S/C8H13F2N3O/c1-14-3-2-7-6(11)4-13(12-7)5-8(9)10/h4,8H,2-3,5,11H2,1H3
InChIKeyPHMRURASQVUEOG-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.92
Rot. Bonds5

About 1-(2,2-difluoroethyl)-3-(2-methoxyethyl)pyrazol-4-amine

1-(2,2-difluoroethyl)-3-(2-methoxyethyl)pyrazol-4-amine (PubChem CID 146569727) has the molecular formula C8H13F2N3O and a molecular weight of 205.21 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-(2-methoxyethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-(2-methoxyethyl)pyrazol-4-amine
PubChem CID146569727
Molecular FormulaC8H13F2N3O
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name1-(2,2-difluoroethyl)-3-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCc1nn(CC(F)F)cc1N
InChIInChI=1S/C8H13F2N3O/c1-14-3-2-7-6(11)4-13(12-7)5-8(9)10/h4,8H,2-3,5,11H2,1H3
InChIKeyPHMRURASQVUEOG-UHFFFAOYSA-N
XLogP0.92
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Difluoromethyl)-1-(oxan-2-yl)pyrazol-4-amine
CID 122673375
3-(1,1-Difluoro-2-methoxyethyl)-1-methylpyrazole
CID 123366235
1-(2,2-Difluoroethyl)-3-isopropyl-pyrazol-4-amine
CID 145427776
1-(2-Fluoropropyl)-5-(2-methoxyethyl)pyrazol-4-amine
CID 145428107
1-(2,2-Difluoroethyl)-5-(2-methoxyethyl)pyrazol-4-amine
CID 146569730
1-(3-Methoxypropyl)-3-(trifluoromethyl)pyrazol-4-amine
CID 171836345
1-(1-Methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147975
1-(2-Methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148061
1-(2-Propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148123
N-ethyl-1-(1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148496
1-(1-methylpyrazol-3-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148675
3-(2,2-Difluoroethoxy)-1-(1-methylpyrazol-3-yl)propan-1-amine
CID 103148829

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-(2-methoxyethyl)pyrazol-4-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-3-(2-methoxyethyl)pyrazol-4-amine (CID 146569727) is 1-(2,2-difluoroethyl)-3-(2-methoxyethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-(2-methoxyethyl)pyrazol-4-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-(2-methoxyethyl)pyrazol-4-amine is COCCc1nn(CC(F)F)cc1N.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-(2-methoxyethyl)pyrazol-4-amine?
The InChIKey is PHMRURASQVUEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O/c1-14-3-2-7-6(11)4-13(12-7)5-8(9)10/h4,8H,2-3,5,11H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-(2-methoxyethyl)pyrazol-4-amine?
1-(2,2-difluoroethyl)-3-(2-methoxyethyl)pyrazol-4-amine has a molecular weight of 205.21 g/mol, XLogP of 0.92, 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)-3-(2-methoxyethyl)pyrazol-4-amine is sourced from PubChem (CID 146569727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).