1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine

C16H14FN3O — CID 4535462

IUPAC1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine
SMILESCOc1ccc(-c2cc(N)n(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C16H14FN3O/c1-21-14-8-2-11(3-9-14)15-10-16(18)20(19-15)13-6-4-12(17)5-7-13/h2-10H,18H2,1H3
InChIKeyDCZRWRXWOUNSAY-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.27
Rot. Bonds3

About 1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine

1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine (PubChem CID 4535462) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine
PubChem CID4535462
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine
SMILESCOc1ccc(-c2cc(N)n(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C16H14FN3O/c1-21-14-8-2-11(3-9-14)15-10-16(18)20(19-15)13-6-4-12(17)5-7-13/h2-10H,18H2,1H3
InChIKeyDCZRWRXWOUNSAY-UHFFFAOYSA-N
XLogP3.27
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine
CID 2742740
1-[1-Methyl-3-(trifluoromethyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-yl]-3-(2,4-difluorophenyl)urea
CID 2810117
1,5-Bis(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole
CID 10569712
5-(4-Methoxyphenyl)-1,3-diphenyl-1H-pyrazole
CID 14532339
1H-Pyrazol-5-amine, 4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-
CID 680669
2-(4-Methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 754796
1-benzyl-4-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-amine
CID 970025
4-(4-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazol-5-amine
CID 970459
N-[2-[[2-(2-cyanoethyl)-5-(4-methoxyphenyl)pyrazol-3-yl]amino]phenyl]-2,2,2-trifluoroacetamide
CID 2117585
2-fluoro-6-[3-(4-methoxyphenyl)-1H-pyrazol-1-yl]pyridine
CID 4271463
4-[2-(4-Methoxy-phenyl)-5-trifluoromethyl-2H-pyrazol-3-yl]-phenylamine
CID 44291754
N-{4-[5-Amino-1-(4-fluoro-phenyl)-1H-pyrazol-3-yl]-phenyl}-4-methoxy-benzenesulfonamide
CID 44312926

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine?
The IUPAC name of 1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine (CID 4535462) is 1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine?
The canonical SMILES for 1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine is COc1ccc(-c2cc(N)n(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine?
The InChIKey is DCZRWRXWOUNSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-21-14-8-2-11(3-9-14)15-10-16(18)20(19-15)13-6-4-12(17)5-7-13/h2-10H,18H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine?
1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine has a molecular weight of 283.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine is sourced from PubChem (CID 4535462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).