1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine

C19H20FN3O — CID 18135903

IUPAC1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
SMILESCOc1ccc(CN(C)Cc2cnn(-c3ccccc3)c2)cc1F
InChIInChI=1S/C19H20FN3O/c1-22(12-15-8-9-19(24-2)18(20)10-15)13-16-11-21-23(14-16)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3
InChIKeyHLPZNIKAUCZSNK-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.65
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine

1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine (PubChem CID 18135903) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
PubChem CID18135903
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
SMILESCOc1ccc(CN(C)Cc2cnn(-c3ccccc3)c2)cc1F
InChIInChI=1S/C19H20FN3O/c1-22(12-15-8-9-19(24-2)18(20)10-15)13-16-11-21-23(14-16)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3
InChIKeyHLPZNIKAUCZSNK-UHFFFAOYSA-N
XLogP3.65
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 60589279
3-fluoro-4-methoxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8962106
1-(5-bromo-2-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 24594012
1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 18088323
2-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8962293
3-(3,4-dimethoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 8950697
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 87014722
5-(3,4-dimethoxyphenyl)-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-1,3,4-oxadiazole-2-thione
CID 55430163
1-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]butan-2-ol
CID 111105745
N-[(1-ethylpyrazol-4-yl)methyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 77085890
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 17471481

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine (CID 18135903) is 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine is COc1ccc(CN(C)Cc2cnn(-c3ccccc3)c2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine?
The InChIKey is HLPZNIKAUCZSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-22(12-15-8-9-19(24-2)18(20)10-15)13-16-11-21-23(14-16)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine?
1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine has a molecular weight of 325.39 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 18135903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).