4-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine

C17H16FN3O — CID 117478888

IUPAC4-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2ccc(OCc3ccccc3)c(F)c2)c1N
InChIInChI=1S/C17H16FN3O/c1-21-17(19)14(10-20-21)13-7-8-16(15(18)9-13)22-11-12-5-3-2-4-6-12/h2-10H,11,19H2,1H3
InChIKeyPRDMCJBEVXQFLS-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.39
Rot. Bonds4

About 4-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine

4-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine (PubChem CID 117478888) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 4-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine
PubChem CID117478888
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name4-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2ccc(OCc3ccccc3)c(F)c2)c1N
InChIInChI=1S/C17H16FN3O/c1-21-17(19)14(10-20-21)13-7-8-16(15(18)9-13)22-11-12-5-3-2-4-6-12/h2-10H,11,19H2,1H3
InChIKeyPRDMCJBEVXQFLS-UHFFFAOYSA-N
XLogP3.39
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine
CID 117496230
4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene
CID 54061452
3-benzyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one
CID 68837803
4-(3-fluoro-4-pentan-3-ylphenyl)-1-methylpyrazol-5-amine
CID 117407893
6-anilino-3-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyridin-2-one
CID 68867289
4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine
CID 115112491
2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene
CID 54485852
2-fluoro-4-(3-fluoro-4-hexoxyphenyl)-1-phenylmethoxybenzene
CID 19430958
3-fluoro-5-(2-phenylmethoxyphenyl)pyridin-2-amine
CID 175669945
2-anilino-3-ethyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one
CID 68836321
5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol
CID 117319162
5-(3-fluoro-4-phenylmethoxyphenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one
CID 68836654

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine (CID 117478888) is 4-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine is Cn1ncc(-c2ccc(OCc3ccccc3)c(F)c2)c1N.
What is the InChIKey of 4-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine?
The InChIKey is PRDMCJBEVXQFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-21-17(19)14(10-20-21)13-7-8-16(15(18)9-13)22-11-12-5-3-2-4-6-12/h2-10H,11,19H2,1H3.
What are the key properties of 4-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine?
4-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine has a molecular weight of 297.33 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117478888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).