N-[1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-yl]hydroxylamine

C8H13F2N3O3 — CID 146569724

IUPACN-[1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-yl]hydroxylamine
SMILESCOCCOc1nn(CC(F)F)cc1NO
InChIInChI=1S/C8H13F2N3O3/c1-15-2-3-16-8-6(12-14)4-13(11-8)5-7(9)10/h4,7,12,14H,2-3,5H2,1H3
InChIKeyCVNCVYCWPDFGSM-UHFFFAOYSA-N
MW237.21 g/mol
LogP0.97
Rot. Bonds7

About N-[1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-yl]hydroxylamine

N-[1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-yl]hydroxylamine (PubChem CID 146569724) has the molecular formula C8H13F2N3O3 and a molecular weight of 237.21 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-yl]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-yl]hydroxylamine
PubChem CID146569724
Molecular FormulaC8H13F2N3O3
Molecular Weight237.21 g/mol
Exact Mass237.09
IUPAC NameN-[1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-yl]hydroxylamine
SMILESCOCCOc1nn(CC(F)F)cc1NO
InChIInChI=1S/C8H13F2N3O3/c1-15-2-3-16-8-6(12-14)4-13(11-8)5-7(9)10/h4,7,12,14H,2-3,5H2,1H3
InChIKeyCVNCVYCWPDFGSM-UHFFFAOYSA-N
XLogP0.97
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-yl]hydroxylamine?
The IUPAC name of N-[1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-yl]hydroxylamine (CID 146569724) is N-[1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-yl]hydroxylamine.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-yl]hydroxylamine?
The canonical SMILES for N-[1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-yl]hydroxylamine is COCCOc1nn(CC(F)F)cc1NO.
What is the InChIKey of N-[1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-yl]hydroxylamine?
The InChIKey is CVNCVYCWPDFGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O3/c1-15-2-3-16-8-6(12-14)4-13(11-8)5-7(9)10/h4,7,12,14H,2-3,5H2,1H3.
What are the key properties of N-[1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-yl]hydroxylamine?
N-[1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-yl]hydroxylamine has a molecular weight of 237.21 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-yl]hydroxylamine is sourced from PubChem (CID 146569724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).