5-N-[(3,4-difluorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine

C12H14F2N4 — CID 54965772

IUPAC5-N-[(3,4-difluorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine
SMILESCc1nn(C)c(NCc2ccc(F)c(F)c2)c1N
InChIInChI=1S/C12H14F2N4/c1-7-11(15)12(18(2)17-7)16-6-8-3-4-9(13)10(14)5-8/h3-5,16H,6,15H2,1-2H3
InChIKeyUYFRICJQVZXYTM-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.20
Rot. Bonds3

About 5-N-[(3,4-difluorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine

5-N-[(3,4-difluorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine (PubChem CID 54965772) has the molecular formula C12H14F2N4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-N-[(3,4-difluorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[(3,4-difluorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine
PubChem CID54965772
Molecular FormulaC12H14F2N4
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name5-N-[(3,4-difluorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine
SMILESCc1nn(C)c(NCc2ccc(F)c(F)c2)c1N
InChIInChI=1S/C12H14F2N4/c1-7-11(15)12(18(2)17-7)16-6-8-3-4-9(13)10(14)5-8/h3-5,16H,6,15H2,1-2H3
InChIKeyUYFRICJQVZXYTM-UHFFFAOYSA-N
XLogP2.20
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[(3-chlorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine
CID 62537746
N-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664340
1,3-dimethyl-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4,5-diamine
CID 43554040
4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80805632
5-N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4,5-diamine
CID 43554049
5-N-[(3-fluorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027410
3-ethyl-5-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4,5-diamine
CID 66016747
1,3-dimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine
CID 43554069
5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66019338
5-N-(3-bromo-4-fluorophenyl)-1,3-dimethylpyrazole-4,5-diamine
CID 113451841
5-N-(5-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-4,5-diamine
CID 43555541
N-[(3,4-difluorophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80904358

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3,4-difluorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[(3,4-difluorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine (CID 54965772) is 5-N-[(3,4-difluorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[(3,4-difluorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[(3,4-difluorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine is Cc1nn(C)c(NCc2ccc(F)c(F)c2)c1N.
What is the InChIKey of 5-N-[(3,4-difluorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine?
The InChIKey is UYFRICJQVZXYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4/c1-7-11(15)12(18(2)17-7)16-6-8-3-4-9(13)10(14)5-8/h3-5,16H,6,15H2,1-2H3.
What are the key properties of 5-N-[(3,4-difluorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine?
5-N-[(3,4-difluorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine has a molecular weight of 252.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3,4-difluorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine is sourced from PubChem (CID 54965772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).