N-[(3-fluoro-4-methoxyphenyl)methyl]-1,5-dimethylpyrazol-3-amine

C13H16FN3O — CID 113290173

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-1,5-dimethylpyrazol-3-amine
SMILESCOc1ccc(CNc2cc(C)n(C)n2)cc1F
InChIInChI=1S/C13H16FN3O/c1-9-6-13(16-17(9)2)15-8-10-4-5-12(18-3)11(14)7-10/h4-7H,8H2,1-3H3,(H,15,16)
InChIKeyOJHXTQQVUWACMC-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.49
Rot. Bonds4

About N-[(3-fluoro-4-methoxyphenyl)methyl]-1,5-dimethylpyrazol-3-amine

N-[(3-fluoro-4-methoxyphenyl)methyl]-1,5-dimethylpyrazol-3-amine (PubChem CID 113290173) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-1,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-1,5-dimethylpyrazol-3-amine
PubChem CID113290173
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-1,5-dimethylpyrazol-3-amine
SMILESCOc1ccc(CNc2cc(C)n(C)n2)cc1F
InChIInChI=1S/C13H16FN3O/c1-9-6-13(16-17(9)2)15-8-10-4-5-12(18-3)11(14)7-10/h4-7H,8H2,1-3H3,(H,15,16)
InChIKeyOJHXTQQVUWACMC-UHFFFAOYSA-N
XLogP2.49
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]-2-methoxyphenol;hydrochloride
CID 126965279
4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]-2-fluorobenzoic acid
CID 114253713
5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-amine
CID 83308187
2-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methylpyridine-2,5-diamine
CID 115147662
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970093
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 61166828
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline
CID 43235538
2-tert-butyl-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 133351061
2,3,4-trifluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 43090343
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylaniline
CID 43332367
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylaniline
CID 43235477

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-1,5-dimethylpyrazol-3-amine?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-1,5-dimethylpyrazol-3-amine (CID 113290173) is N-[(3-fluoro-4-methoxyphenyl)methyl]-1,5-dimethylpyrazol-3-amine.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-1,5-dimethylpyrazol-3-amine?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-1,5-dimethylpyrazol-3-amine is COc1ccc(CNc2cc(C)n(C)n2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-1,5-dimethylpyrazol-3-amine?
The InChIKey is OJHXTQQVUWACMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-9-6-13(16-17(9)2)15-8-10-4-5-12(18-3)11(14)7-10/h4-7H,8H2,1-3H3,(H,15,16).
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-1,5-dimethylpyrazol-3-amine?
N-[(3-fluoro-4-methoxyphenyl)methyl]-1,5-dimethylpyrazol-3-amine has a molecular weight of 249.29 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-1,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 113290173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).