3-(2,4-difluoro-5-methylphenyl)-1,4-dimethylpyrazol-5-amine

C12H13F2N3 — CID 113396503

IUPAC3-(2,4-difluoro-5-methylphenyl)-1,4-dimethylpyrazol-5-amine
SMILESCc1cc(-c2nn(C)c(N)c2C)c(F)cc1F
InChIInChI=1S/C12H13F2N3/c1-6-4-8(10(14)5-9(6)13)11-7(2)12(15)17(3)16-11/h4-5H,15H2,1-3H3
InChIKeyFIOJHIAWOIAKEI-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.56
Rot. Bonds1

About 3-(2,4-difluoro-5-methylphenyl)-1,4-dimethylpyrazol-5-amine

3-(2,4-difluoro-5-methylphenyl)-1,4-dimethylpyrazol-5-amine (PubChem CID 113396503) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-(2,4-difluoro-5-methylphenyl)-1,4-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2,4-difluoro-5-methylphenyl)-1,4-dimethylpyrazol-5-amine
PubChem CID113396503
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name3-(2,4-difluoro-5-methylphenyl)-1,4-dimethylpyrazol-5-amine
SMILESCc1cc(-c2nn(C)c(N)c2C)c(F)cc1F
InChIInChI=1S/C12H13F2N3/c1-6-4-8(10(14)5-9(6)13)11-7(2)12(15)17(3)16-11/h4-5H,15H2,1-3H3
InChIKeyFIOJHIAWOIAKEI-UHFFFAOYSA-N
XLogP2.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dichlorophenyl)-1,4-dimethylpyrazol-5-amine
CID 43158813
3-(3-chloro-4-fluorophenyl)-1,4-dimethylpyrazol-5-amine
CID 82875760
3-(5-fluoro-3-pyridinyl)-1,4-dimethylpyrazol-5-amine
CID 104785956
3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,4-dimethylpyrazol-5-amine
CID 43158807
4-(2,5-difluoro-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117319250
1,4-dimethyl-3-pyrimidin-2-ylpyrazol-5-amine
CID 114552607
4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117312373
3-(5-amino-1,4-dimethylpyrazol-3-yl)-1H-pyridin-4-one
CID 136812319
3-(3-methoxy-4-methylphenyl)-1,4-dimethylpyrazol-5-amine
CID 43158798
3-(3-bromo-5-methylphenyl)-1,4-dimethylpyrazol-5-amine
CID 104853069
1-butyl-3-(2,5-difluoro-4-methylphenyl)pyrazol-4-amine
CID 83222541
5-(2,4-difluoro-5-methylphenyl)-4-methylpyridin-2-amine
CID 79732792

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluoro-5-methylphenyl)-1,4-dimethylpyrazol-5-amine?
The IUPAC name of 3-(2,4-difluoro-5-methylphenyl)-1,4-dimethylpyrazol-5-amine (CID 113396503) is 3-(2,4-difluoro-5-methylphenyl)-1,4-dimethylpyrazol-5-amine.
What is the SMILES notation for 3-(2,4-difluoro-5-methylphenyl)-1,4-dimethylpyrazol-5-amine?
The canonical SMILES for 3-(2,4-difluoro-5-methylphenyl)-1,4-dimethylpyrazol-5-amine is Cc1cc(-c2nn(C)c(N)c2C)c(F)cc1F.
What is the InChIKey of 3-(2,4-difluoro-5-methylphenyl)-1,4-dimethylpyrazol-5-amine?
The InChIKey is FIOJHIAWOIAKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-6-4-8(10(14)5-9(6)13)11-7(2)12(15)17(3)16-11/h4-5H,15H2,1-3H3.
What are the key properties of 3-(2,4-difluoro-5-methylphenyl)-1,4-dimethylpyrazol-5-amine?
3-(2,4-difluoro-5-methylphenyl)-1,4-dimethylpyrazol-5-amine has a molecular weight of 237.25 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluoro-5-methylphenyl)-1,4-dimethylpyrazol-5-amine is sourced from PubChem (CID 113396503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).