5-[2,3-difluoro-4-(methoxymethyl)phenyl]-1H-pyrazol-3-amine

C11H11F2N3O — CID 117350141

IUPAC5-[2,3-difluoro-4-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
SMILESCOCc1ccc(-c2cc(N)n[nH]2)c(F)c1F
InChIInChI=1S/C11H11F2N3O/c1-17-5-6-2-3-7(11(13)10(6)12)8-4-9(14)16-15-8/h2-4H,5H2,1H3,(H3,14,15,16)
InChIKeyPHKKHBFLWIHBGX-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.08
Rot. Bonds3

About 5-[2,3-difluoro-4-(methoxymethyl)phenyl]-1H-pyrazol-3-amine

5-[2,3-difluoro-4-(methoxymethyl)phenyl]-1H-pyrazol-3-amine (PubChem CID 117350141) has the molecular formula C11H11F2N3O and a molecular weight of 239.22 g/mol. Its IUPAC name is 5-[2,3-difluoro-4-(methoxymethyl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[2,3-difluoro-4-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
PubChem CID117350141
Molecular FormulaC11H11F2N3O
Molecular Weight239.22 g/mol
Exact Mass239.09
IUPAC Name5-[2,3-difluoro-4-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
SMILESCOCc1ccc(-c2cc(N)n[nH]2)c(F)c1F
InChIInChI=1S/C11H11F2N3O/c1-17-5-6-2-3-7(11(13)10(6)12)8-4-9(14)16-15-8/h2-4H,5H2,1H3,(H3,14,15,16)
InChIKeyPHKKHBFLWIHBGX-UHFFFAOYSA-N
XLogP2.08
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[2,3-difluoro-4-(methoxymethyl)phenyl]-1H-pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2,3-difluoro-5-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117350139
4-[2,3-difluoro-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117352525
5-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117412508
5-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117422695
5-[4-methoxy-3-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117338097
5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazol-3-amine
CID 115111633
5-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine
CID 81265191
5-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117412509
5-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine;hydrobromide
CID 117464714
5-(3-ethyl-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 117309562
5-(3,5-difluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 117322792
3-[4-fluoro-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117317629

Frequently Asked Questions

What is the IUPAC name of 5-[2,3-difluoro-4-(methoxymethyl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[2,3-difluoro-4-(methoxymethyl)phenyl]-1H-pyrazol-3-amine (CID 117350141) is 5-[2,3-difluoro-4-(methoxymethyl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[2,3-difluoro-4-(methoxymethyl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[2,3-difluoro-4-(methoxymethyl)phenyl]-1H-pyrazol-3-amine is COCc1ccc(-c2cc(N)n[nH]2)c(F)c1F.
What is the InChIKey of 5-[2,3-difluoro-4-(methoxymethyl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is PHKKHBFLWIHBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-17-5-6-2-3-7(11(13)10(6)12)8-4-9(14)16-15-8/h2-4H,5H2,1H3,(H3,14,15,16).
What are the key properties of 5-[2,3-difluoro-4-(methoxymethyl)phenyl]-1H-pyrazol-3-amine?
5-[2,3-difluoro-4-(methoxymethyl)phenyl]-1H-pyrazol-3-amine has a molecular weight of 239.22 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,3-difluoro-4-(methoxymethyl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117350141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).