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

C18H18FN3O — CID 117496230

IUPAC4-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine
SMILESCc1cc(-c2cnn(C)c2N)cc(F)c1OCc1ccccc1
InChIInChI=1S/C18H18FN3O/c1-12-8-14(15-10-21-22(2)18(15)20)9-16(19)17(12)23-11-13-6-4-3-5-7-13/h3-10H,11,20H2,1-2H3
InChIKeyJNOQDUJOTMAMDY-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.70
Rot. Bonds4

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

4-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine (PubChem CID 117496230) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 4-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine
PubChem CID117496230
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name4-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine
SMILESCc1cc(-c2cnn(C)c2N)cc(F)c1OCc1ccccc1
InChIInChI=1S/C18H18FN3O/c1-12-8-14(15-10-21-22(2)18(15)20)9-16(19)17(12)23-11-13-6-4-3-5-7-13/h3-10H,11,20H2,1-2H3
InChIKeyJNOQDUJOTMAMDY-UHFFFAOYSA-N
XLogP3.70
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine
CID 117478888
1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
CID 90166919
1-(2,4-dichlorophenyl)-5-(3,5-difluoro-4-phenylmethoxyphenyl)-4-methylpyrazole
CID 141120916
1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)ethanamine
CID 117402181
4-(3-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117351877
5-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-methylbenzoic acid
CID 117375453
1-[(3-fluoro-5-methyl-4-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
CID 117459780
4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine
CID 117428222
3-amino-1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)propan-1-one
CID 117463633
(E)-3-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)prop-2-en-1-amine
CID 117431293
4-(4-ethyl-3-methylphenyl)-1-methylpyrazol-5-amine
CID 117307110
4-(4,6-difluoro-2,3-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426013

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine (CID 117496230) is 4-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine is Cc1cc(-c2cnn(C)c2N)cc(F)c1OCc1ccccc1.
What is the InChIKey of 4-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine?
The InChIKey is JNOQDUJOTMAMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-12-8-14(15-10-21-22(2)18(15)20)9-16(19)17(12)23-11-13-6-4-3-5-7-13/h3-10H,11,20H2,1-2H3.
What are the key properties of 4-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine?
4-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine has a molecular weight of 311.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117496230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).