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

C11H11F2N3 — CID 117319254

IUPAC3-(3,4-difluoro-5-methylphenyl)-1-methylpyrazol-5-amine
SMILESCc1cc(-c2cc(N)n(C)n2)cc(F)c1F
InChIInChI=1S/C11H11F2N3/c1-6-3-7(4-8(12)11(6)13)9-5-10(14)16(2)15-9/h3-5H,14H2,1-2H3
InChIKeyBPYCCZRSBMNDQV-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.26
Rot. Bonds1

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

3-(3,4-difluoro-5-methylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117319254) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-(3,4-difluoro-5-methylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3,4-difluoro-5-methylphenyl)-1-methylpyrazol-5-amine
PubChem CID117319254
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name3-(3,4-difluoro-5-methylphenyl)-1-methylpyrazol-5-amine
SMILESCc1cc(-c2cc(N)n(C)n2)cc(F)c1F
InChIInChI=1S/C11H11F2N3/c1-6-3-7(4-8(12)11(6)13)9-5-10(14)16(2)15-9/h3-5H,14H2,1-2H3
InChIKeyBPYCCZRSBMNDQV-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

3-(5-bromo-2-fluoro-3-methylphenyl)-1-methylpyrazol-5-amine
CID 117456804
3-(3-chloro-5-methylphenyl)-1-methylpyrazol-5-amine
CID 81323807
3-(3-chloro-2,6-difluorophenyl)-1-methylpyrazol-5-amine
CID 117361022
1-methyl-3-(4-methyl-3-methylsulfanylphenyl)pyrazol-5-amine
CID 117338985
3-(5-fluoro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117376002
1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921950
3-(4-chloro-2,3,5-trifluorophenyl)-1-methylpyrazol-5-amine
CID 115112010
3-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464618
3-(5-amino-1-methylpyrazol-3-yl)-2-fluoro-5-methylphenol
CID 117315527
3-(5-chloro-2,3-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117436877
3-[2,3-difluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117385342
3-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
CID 117499176

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluoro-5-methylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(3,4-difluoro-5-methylphenyl)-1-methylpyrazol-5-amine (CID 117319254) is 3-(3,4-difluoro-5-methylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(3,4-difluoro-5-methylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(3,4-difluoro-5-methylphenyl)-1-methylpyrazol-5-amine is Cc1cc(-c2cc(N)n(C)n2)cc(F)c1F.
What is the InChIKey of 3-(3,4-difluoro-5-methylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is BPYCCZRSBMNDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c1-6-3-7(4-8(12)11(6)13)9-5-10(14)16(2)15-9/h3-5H,14H2,1-2H3.
What are the key properties of 3-(3,4-difluoro-5-methylphenyl)-1-methylpyrazol-5-amine?
3-(3,4-difluoro-5-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 3-(3,4-difluoro-5-methylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117319254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).