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

C11H11F2N3 — CID 117319251

IUPAC4-(3,5-difluoro-2-methylphenyl)-1-methylpyrazol-5-amine
SMILESCc1c(F)cc(F)cc1-c1cnn(C)c1N
InChIInChI=1S/C11H11F2N3/c1-6-8(3-7(12)4-10(6)13)9-5-15-16(2)11(9)14/h3-5H,14H2,1-2H3
InChIKeyAXERTLKYBFWCGQ-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.26
Rot. Bonds1

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

4-(3,5-difluoro-2-methylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117319251) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-(3,5-difluoro-2-methylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3,5-difluoro-2-methylphenyl)-1-methylpyrazol-5-amine
PubChem CID117319251
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name4-(3,5-difluoro-2-methylphenyl)-1-methylpyrazol-5-amine
SMILESCc1c(F)cc(F)cc1-c1cnn(C)c1N
InChIInChI=1S/C11H11F2N3/c1-6-8(3-7(12)4-10(6)13)9-5-15-16(2)11(9)14/h3-5H,14H2,1-2H3
InChIKeyAXERTLKYBFWCGQ-UHFFFAOYSA-N
XLogP2.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117312373
4-(2,5-difluoro-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117319250
4-(3-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117351877
4-(2,4-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350174
4-(5-ethyl-2,3-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117331158
4-(3-chloro-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117392093
2-(5-amino-1-methylpyrazol-4-yl)-5-fluorophenol
CID 117295558
5-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-methylbenzoic acid
CID 117375453
4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine
CID 63038462
4-(5-ethyl-4-fluoro-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117338339
4-(2-bromo-3-fluoro-5,6-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117479935
4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine
CID 117428222

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluoro-2-methylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3,5-difluoro-2-methylphenyl)-1-methylpyrazol-5-amine (CID 117319251) is 4-(3,5-difluoro-2-methylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3,5-difluoro-2-methylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3,5-difluoro-2-methylphenyl)-1-methylpyrazol-5-amine is Cc1c(F)cc(F)cc1-c1cnn(C)c1N.
What is the InChIKey of 4-(3,5-difluoro-2-methylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is AXERTLKYBFWCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c1-6-8(3-7(12)4-10(6)13)9-5-15-16(2)11(9)14/h3-5H,14H2,1-2H3.
What are the key properties of 4-(3,5-difluoro-2-methylphenyl)-1-methylpyrazol-5-amine?
4-(3,5-difluoro-2-methylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 223.23 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluoro-2-methylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117319251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).