5-N-[(2,4-difluorophenyl)methyl]-1-ethyl-3-methylpyrazole-4,5-diamine

C13H16F2N4 — CID 66013047

IUPAC5-N-[(2,4-difluorophenyl)methyl]-1-ethyl-3-methylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCc1ccc(F)cc1F
InChIInChI=1S/C13H16F2N4/c1-3-19-13(12(16)8(2)18-19)17-7-9-4-5-10(14)6-11(9)15/h4-6,17H,3,7,16H2,1-2H3
InChIKeyAQXSBLJOLIZRRL-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.68
Rot. Bonds4

About 5-N-[(2,4-difluorophenyl)methyl]-1-ethyl-3-methylpyrazole-4,5-diamine

5-N-[(2,4-difluorophenyl)methyl]-1-ethyl-3-methylpyrazole-4,5-diamine (PubChem CID 66013047) has the molecular formula C13H16F2N4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-N-[(2,4-difluorophenyl)methyl]-1-ethyl-3-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[(2,4-difluorophenyl)methyl]-1-ethyl-3-methylpyrazole-4,5-diamine
PubChem CID66013047
Molecular FormulaC13H16F2N4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name5-N-[(2,4-difluorophenyl)methyl]-1-ethyl-3-methylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCc1ccc(F)cc1F
InChIInChI=1S/C13H16F2N4/c1-3-19-13(12(16)8(2)18-19)17-7-9-4-5-10(14)6-11(9)15/h4-6,17H,3,7,16H2,1-2H3
InChIKeyAQXSBLJOLIZRRL-UHFFFAOYSA-N
XLogP2.68
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-methyl-5-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4,5-diamine
CID 66013633
5-N-[(3-fluorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027410
2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-5-fluorobenzonitrile
CID 82014680
1-ethyl-3-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4,5-diamine
CID 66013825
1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66012005
5-N-(2,2-difluoroethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 115405464
1-ethyl-3-methyl-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4,5-diamine
CID 66012067
5-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66028755
5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66029529
4-N-[(2,4-difluorophenyl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80983059
N-[(2,4-difluorophenyl)methyl]-1-ethylpyrazol-4-amine
CID 43543559
5-N-(3,4-dimethylphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66012411

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2,4-difluorophenyl)methyl]-1-ethyl-3-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[(2,4-difluorophenyl)methyl]-1-ethyl-3-methylpyrazole-4,5-diamine (CID 66013047) is 5-N-[(2,4-difluorophenyl)methyl]-1-ethyl-3-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[(2,4-difluorophenyl)methyl]-1-ethyl-3-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[(2,4-difluorophenyl)methyl]-1-ethyl-3-methylpyrazole-4,5-diamine is CCn1nc(C)c(N)c1NCc1ccc(F)cc1F.
What is the InChIKey of 5-N-[(2,4-difluorophenyl)methyl]-1-ethyl-3-methylpyrazole-4,5-diamine?
The InChIKey is AQXSBLJOLIZRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4/c1-3-19-13(12(16)8(2)18-19)17-7-9-4-5-10(14)6-11(9)15/h4-6,17H,3,7,16H2,1-2H3.
What are the key properties of 5-N-[(2,4-difluorophenyl)methyl]-1-ethyl-3-methylpyrazole-4,5-diamine?
5-N-[(2,4-difluorophenyl)methyl]-1-ethyl-3-methylpyrazole-4,5-diamine has a molecular weight of 266.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2,4-difluorophenyl)methyl]-1-ethyl-3-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66013047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).