5-(2,5-difluoro-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine

C11H11F2N3O — CID 116827288

IUPAC5-(2,5-difluoro-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine
SMILESCNc1cc(-c2cc(F)c(OC)cc2F)[nH]n1
InChIInChI=1S/C11H11F2N3O/c1-14-11-5-9(15-16-11)6-3-8(13)10(17-2)4-7(6)12/h3-5H,1-2H3,(H2,14,15,16)
InChIKeyVWAQYULBZGUFOP-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.41
Rot. Bonds3

About 5-(2,5-difluoro-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine

5-(2,5-difluoro-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine (PubChem CID 116827288) has the molecular formula C11H11F2N3O and a molecular weight of 239.22 g/mol. Its IUPAC name is 5-(2,5-difluoro-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,5-difluoro-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine
PubChem CID116827288
Molecular FormulaC11H11F2N3O
Molecular Weight239.22 g/mol
Exact Mass239.09
IUPAC Name5-(2,5-difluoro-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine
SMILESCNc1cc(-c2cc(F)c(OC)cc2F)[nH]n1
InChIInChI=1S/C11H11F2N3O/c1-14-11-5-9(15-16-11)6-3-8(13)10(17-2)4-7(6)12/h3-5H,1-2H3,(H2,14,15,16)
InChIKeyVWAQYULBZGUFOP-UHFFFAOYSA-N
XLogP2.41
TPSA49.94 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 ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-fluorophenyl)-N-methyl-1H-pyrazol-3-amine
CID 63048813
5-(2,5-difluoro-4-methoxyphenyl)-N-methylpyrimidin-2-amine
CID 116977036
5-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 63047414
5-(2,5-difluoro-4-methoxyphenyl)-1H-imidazole-2-carbonitrile
CID 116879938
5-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827245
2,5-difluoro-4-methoxy-N-methylaniline
CID 82648042
4-(2,5-difluoro-4-methoxyphenyl)-2-methoxy-1,3-thiazole
CID 116967804
5-(3-ethyl-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827233
5-(2-fluoro-5-methoxy-4-methylphenyl)-1H-pyrazol-3-amine
CID 117315411
N-methyl-5-(2-methylphenyl)-1H-pyrazol-3-amine
CID 54595204
4-bromo-3-(2,5-difluoro-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 116858219
5-(2,5-difluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 116828429

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluoro-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,5-difluoro-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine (CID 116827288) is 5-(2,5-difluoro-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,5-difluoro-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,5-difluoro-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine is CNc1cc(-c2cc(F)c(OC)cc2F)[nH]n1.
What is the InChIKey of 5-(2,5-difluoro-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine?
The InChIKey is VWAQYULBZGUFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-14-11-5-9(15-16-11)6-3-8(13)10(17-2)4-7(6)12/h3-5H,1-2H3,(H2,14,15,16).
What are the key properties of 5-(2,5-difluoro-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine?
5-(2,5-difluoro-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine has a molecular weight of 239.22 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluoro-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 116827288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).