4-(3-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazol-5-amine

C11H11ClFN3 — CID 117351877

IUPAC4-(3-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazol-5-amine
SMILESCc1c(F)cc(-c2cnn(C)c2N)cc1Cl
InChIInChI=1S/C11H11ClFN3/c1-6-9(12)3-7(4-10(6)13)8-5-15-16(2)11(8)14/h3-5H,14H2,1-2H3
InChIKeyQOMKMIBZVRRIOD-UHFFFAOYSA-N
MW239.68 g/mol
LogP2.77
Rot. Bonds1

About 4-(3-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazol-5-amine

4-(3-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117351877) has the molecular formula C11H11ClFN3 and a molecular weight of 239.68 g/mol. Its IUPAC name is 4-(3-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazol-5-amine
PubChem CID117351877
Molecular FormulaC11H11ClFN3
Molecular Weight239.68 g/mol
Exact Mass239.06
IUPAC Name4-(3-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazol-5-amine
SMILESCc1c(F)cc(-c2cnn(C)c2N)cc1Cl
InChIInChI=1S/C11H11ClFN3/c1-6-9(12)3-7(4-10(6)13)8-5-15-16(2)11(8)14/h3-5H,14H2,1-2H3
InChIKeyQOMKMIBZVRRIOD-UHFFFAOYSA-N
XLogP2.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-methylbenzoic acid
CID 117375453
5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol
CID 117319162
4-(3-bromo-4,5-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464596
4-(3,5-difluoro-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117319251
4-(3-chloro-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117387554
4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine
CID 117428222
4-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117412665
4-(3,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117370777
4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117312373
4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine
CID 63038462
5-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-hydroxybenzoic acid
CID 117380458
4-(2,5-difluoro-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117319250

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazol-5-amine (CID 117351877) is 4-(3-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazol-5-amine is Cc1c(F)cc(-c2cnn(C)c2N)cc1Cl.
What is the InChIKey of 4-(3-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is QOMKMIBZVRRIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3/c1-6-9(12)3-7(4-10(6)13)8-5-15-16(2)11(8)14/h3-5H,14H2,1-2H3.
What are the key properties of 4-(3-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazol-5-amine?
4-(3-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 239.68 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117351877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).