5-N-(3-fluoro-5-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine

C14H19FN4 — CID 79048395

IUPAC5-N-(3-fluoro-5-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1Nc1cc(C)cc(F)c1
InChIInChI=1S/C14H19FN4/c1-4-5-19-14(13(16)10(3)18-19)17-12-7-9(2)6-11(15)8-12/h6-8,17H,4-5,16H2,1-3H3
InChIKeyTWBVTNHTWIVYSZ-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.37
Rot. Bonds4

About 5-N-(3-fluoro-5-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine

5-N-(3-fluoro-5-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine (PubChem CID 79048395) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is 5-N-(3-fluoro-5-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(3-fluoro-5-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
PubChem CID79048395
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC Name5-N-(3-fluoro-5-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1Nc1cc(C)cc(F)c1
InChIInChI=1S/C14H19FN4/c1-4-5-19-14(13(16)10(3)18-19)17-12-7-9(2)6-11(15)8-12/h6-8,17H,4-5,16H2,1-3H3
InChIKeyTWBVTNHTWIVYSZ-UHFFFAOYSA-N
XLogP3.37
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(3,5-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66029347
5-N-(3,4-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027995
5-N-(3-bromo-4-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66028825
5-N-[4-(difluoromethoxy)phenyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027035
5-N-[(3-fluorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027410
5-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66028755
5-N-(2,4-dibromo-5-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 103410774
1-ethyl-3-methyl-5-N-(4-propylphenyl)pyrazole-4,5-diamine
CID 66013596
5-N-(2,3-dichlorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027996
5-N-(3,5-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66026960
3-methyl-5-N-(2-methylbutan-2-yl)-1-propylpyrazole-4,5-diamine
CID 66027987
5-N-(3,4-dimethylphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66012411

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-fluoro-5-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(3-fluoro-5-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine (CID 79048395) is 5-N-(3-fluoro-5-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(3-fluoro-5-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(3-fluoro-5-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine is CCCn1nc(C)c(N)c1Nc1cc(C)cc(F)c1.
What is the InChIKey of 5-N-(3-fluoro-5-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine?
The InChIKey is TWBVTNHTWIVYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c1-4-5-19-14(13(16)10(3)18-19)17-12-7-9(2)6-11(15)8-12/h6-8,17H,4-5,16H2,1-3H3.
What are the key properties of 5-N-(3-fluoro-5-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine?
5-N-(3-fluoro-5-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine has a molecular weight of 262.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-fluoro-5-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine is sourced from PubChem (CID 79048395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).