N-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-amine

C11H12FN3O — CID 175150207

IUPACN-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-amine
SMILESCOc1ccc(Nc2cnn(C)c2)c(F)c1
InChIInChI=1S/C11H12FN3O/c1-15-7-8(6-13-15)14-11-4-3-9(16-2)5-10(11)12/h3-7,14H,1-2H3
InChIKeyBZJYJEFXLXBGQZ-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.31
Rot. Bonds3

About N-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-amine

N-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-amine (PubChem CID 175150207) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is N-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-amine
PubChem CID175150207
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC NameN-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-amine
SMILESCOc1ccc(Nc2cnn(C)c2)c(F)c1
InChIInChI=1S/C11H12FN3O/c1-15-7-8(6-13-15)14-11-4-3-9(16-2)5-10(11)12/h3-7,14H,1-2H3
InChIKeyBZJYJEFXLXBGQZ-UHFFFAOYSA-N
XLogP2.31
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-4-methoxyphenyl)naphthalen-2-amine
CID 82536277
N-(2,4-dimethylphenyl)-1-methylpyrazol-4-amine
CID 125449684
5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]benzoic acid
CID 115412093
3-(2-fluoro-4-methoxyanilino)phenol
CID 82537335
5-fluoro-6-(2-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 144595164
1-N-(1-methylpyrazol-4-yl)benzene-1,2,4-triamine
CID 23212800
2-methyl-1-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine
CID 79770283
4-N-(2-fluoro-4-methoxyphenyl)pyridine-3,4-diamine
CID 118027357
2-fluoro-4-methoxy-N-methylaniline;hydrochloride
CID 175025115
N-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81304751
1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 81305139
1-(2-fluoro-4-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 81304810

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-amine?
The IUPAC name of N-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-amine (CID 175150207) is N-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-amine.
What is the SMILES notation for N-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-amine?
The canonical SMILES for N-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-amine is COc1ccc(Nc2cnn(C)c2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-amine?
The InChIKey is BZJYJEFXLXBGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-15-7-8(6-13-15)14-11-4-3-9(16-2)5-10(11)12/h3-7,14H,1-2H3.
What are the key properties of N-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-amine?
N-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-amine has a molecular weight of 221.24 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-amine is sourced from PubChem (CID 175150207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).