N-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine

C13H15F2N3 — CID 28664340

IUPACN-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1NCc1ccc(F)c(F)c1
InChIInChI=1S/C13H15F2N3/c1-8-13(9(2)18(3)17-8)16-7-10-4-5-11(14)12(15)6-10/h4-6,16H,7H2,1-3H3
InChIKeyQKJPBJRREMUYLR-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.93
Rot. Bonds3

About N-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine

N-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine (PubChem CID 28664340) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
PubChem CID28664340
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1NCc1ccc(F)c(F)c1
InChIInChI=1S/C13H15F2N3/c1-8-13(9(2)18(3)17-8)16-7-10-4-5-11(14)12(15)6-10/h4-6,16H,7H2,1-3H3
InChIKeyQKJPBJRREMUYLR-UHFFFAOYSA-N
XLogP2.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664304
N-[(3-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664321
5-N-[(3,4-difluorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine
CID 54965772
N-[(4-tert-butylphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28554082
N-[(4-bromophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664301
N-(1H-indol-6-ylmethyl)-1,3,5-trimethylpyrazol-4-amine
CID 102909317
2-methoxy-4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenol
CID 28664303
N-[[4-(diethylamino)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664920
N-[(4-ethoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664320
1,3,5-trimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazol-4-amine
CID 43768843
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine
CID 115350267
N-[(4-bromo-3-nitrophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 43768838

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine (CID 28664340) is N-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine is Cc1nn(C)c(C)c1NCc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine?
The InChIKey is QKJPBJRREMUYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-8-13(9(2)18(3)17-8)16-7-10-4-5-11(14)12(15)6-10/h4-6,16H,7H2,1-3H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine?
N-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine has a molecular weight of 251.28 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine is sourced from PubChem (CID 28664340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).