1-(2,6-difluorophenyl)-4-(methyliminomethyl)pyrazol-5-amine

C11H10F2N4 — CID 123962718

IUPAC1-(2,6-difluorophenyl)-4-(methyliminomethyl)pyrazol-5-amine
SMILESC/N=C/c1cnn(-c2c(F)cccc2F)c1N
InChIInChI=1S/C11H10F2N4/c1-15-5-7-6-16-17(11(7)14)10-8(12)3-2-4-9(10)13/h2-6H,14H2,1H3/b15-5+
InChIKeyVTQIRGRTIXTPDH-PJQLUOCWSA-N
MW236.23 g/mol
LogP1.78
Rot. Bonds2

About 1-(2,6-difluorophenyl)-4-(methyliminomethyl)pyrazol-5-amine

1-(2,6-difluorophenyl)-4-(methyliminomethyl)pyrazol-5-amine (PubChem CID 123962718) has the molecular formula C11H10F2N4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-4-(methyliminomethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-4-(methyliminomethyl)pyrazol-5-amine
PubChem CID123962718
Molecular FormulaC11H10F2N4
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name1-(2,6-difluorophenyl)-4-(methyliminomethyl)pyrazol-5-amine
SMILESC/N=C/c1cnn(-c2c(F)cccc2F)c1N
InChIInChI=1S/C11H10F2N4/c1-15-5-7-6-16-17(11(7)14)10-8(12)3-2-4-9(10)13/h2-6H,14H2,1H3/b15-5+
InChIKeyVTQIRGRTIXTPDH-PJQLUOCWSA-N
XLogP1.78
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-4-(methyliminomethyl)pyrazol-5-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-4-(methyliminomethyl)pyrazol-5-amine (CID 123962718) is 1-(2,6-difluorophenyl)-4-(methyliminomethyl)pyrazol-5-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-4-(methyliminomethyl)pyrazol-5-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-4-(methyliminomethyl)pyrazol-5-amine is C/N=C/c1cnn(-c2c(F)cccc2F)c1N.
What is the InChIKey of 1-(2,6-difluorophenyl)-4-(methyliminomethyl)pyrazol-5-amine?
The InChIKey is VTQIRGRTIXTPDH-PJQLUOCWSA-N. The full InChI is InChI=1S/C11H10F2N4/c1-15-5-7-6-16-17(11(7)14)10-8(12)3-2-4-9(10)13/h2-6H,14H2,1H3/b15-5+.
What are the key properties of 1-(2,6-difluorophenyl)-4-(methyliminomethyl)pyrazol-5-amine?
1-(2,6-difluorophenyl)-4-(methyliminomethyl)pyrazol-5-amine has a molecular weight of 236.23 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-4-(methyliminomethyl)pyrazol-5-amine is sourced from PubChem (CID 123962718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).