2-N-(1,3-dimethylpyrazol-4-yl)-3,4-difluorobenzene-1,2-diamine

C11H12F2N4 — CID 102803610

IUPAC2-N-(1,3-dimethylpyrazol-4-yl)-3,4-difluorobenzene-1,2-diamine
SMILESCc1nn(C)cc1Nc1c(N)ccc(F)c1F
InChIInChI=1S/C11H12F2N4/c1-6-9(5-17(2)16-6)15-11-8(14)4-3-7(12)10(11)13/h3-5,15H,14H2,1-2H3
InChIKeyNGUZVUIAZHLKOL-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.33
Rot. Bonds2

About 2-N-(1,3-dimethylpyrazol-4-yl)-3,4-difluorobenzene-1,2-diamine

2-N-(1,3-dimethylpyrazol-4-yl)-3,4-difluorobenzene-1,2-diamine (PubChem CID 102803610) has the molecular formula C11H12F2N4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-N-(1,3-dimethylpyrazol-4-yl)-3,4-difluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1,3-dimethylpyrazol-4-yl)-3,4-difluorobenzene-1,2-diamine
PubChem CID102803610
Molecular FormulaC11H12F2N4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-N-(1,3-dimethylpyrazol-4-yl)-3,4-difluorobenzene-1,2-diamine
SMILESCc1nn(C)cc1Nc1c(N)ccc(F)c1F
InChIInChI=1S/C11H12F2N4/c1-6-9(5-17(2)16-6)15-11-8(14)4-3-7(12)10(11)13/h3-5,15H,14H2,1-2H3
InChIKeyNGUZVUIAZHLKOL-UHFFFAOYSA-N
XLogP2.33
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(1,3-dimethylpyrazol-4-yl)benzene-1,2,4-triamine
CID 106751256
3,4-difluoro-2-N-(2-propan-2-ylphenyl)benzene-1,2-diamine
CID 55086406
4-[(1,3-dimethylpyrazol-4-yl)amino]-2,3-difluorobenzenecarbothioamide
CID 107935318
2-N-(4-bromo-2-methylphenyl)-3,4-difluorobenzene-1,2-diamine
CID 62533328
8-N-(1,3-dimethylpyrazol-4-yl)quinoline-5,8-diamine
CID 102803578
N-(1,3-dimethylpyrazol-4-yl)-5-fluoropyridin-2-amine
CID 102806096
2-chloro-4-N-(1,3-dimethylpyrazol-4-yl)-5-methylbenzene-1,4-diamine
CID 102803593
4-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzene-1,4-diamine
CID 102803626
2-(6-amino-2,3-difluoroanilino)-6-methylbenzonitrile
CID 107802725
2-N-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-2,3-diamine
CID 102803615
3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)benzene-1,2-diamine
CID 59386306
2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-fluorobenzenesulfonamide
CID 102803480

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-dimethylpyrazol-4-yl)-3,4-difluorobenzene-1,2-diamine?
The IUPAC name of 2-N-(1,3-dimethylpyrazol-4-yl)-3,4-difluorobenzene-1,2-diamine (CID 102803610) is 2-N-(1,3-dimethylpyrazol-4-yl)-3,4-difluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(1,3-dimethylpyrazol-4-yl)-3,4-difluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-(1,3-dimethylpyrazol-4-yl)-3,4-difluorobenzene-1,2-diamine is Cc1nn(C)cc1Nc1c(N)ccc(F)c1F.
What is the InChIKey of 2-N-(1,3-dimethylpyrazol-4-yl)-3,4-difluorobenzene-1,2-diamine?
The InChIKey is NGUZVUIAZHLKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4/c1-6-9(5-17(2)16-6)15-11-8(14)4-3-7(12)10(11)13/h3-5,15H,14H2,1-2H3.
What are the key properties of 2-N-(1,3-dimethylpyrazol-4-yl)-3,4-difluorobenzene-1,2-diamine?
2-N-(1,3-dimethylpyrazol-4-yl)-3,4-difluorobenzene-1,2-diamine has a molecular weight of 238.24 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-dimethylpyrazol-4-yl)-3,4-difluorobenzene-1,2-diamine is sourced from PubChem (CID 102803610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).