3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine

C14H17F2N3O — CID 79405300

IUPAC3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine
SMILESCCCc1c(-c2cccc(OC(F)F)c2)nn(C)c1N
InChIInChI=1S/C14H17F2N3O/c1-3-5-11-12(18-19(2)13(11)17)9-6-4-7-10(8-9)20-14(15)16/h4,6-8,14H,3,5,17H2,1-2H3
InChIKeyGFAQJRIHDABMEU-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.22
Rot. Bonds5

About 3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine

3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine (PubChem CID 79405300) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine.

Molecular Properties

Compound Name3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine
PubChem CID79405300
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine
SMILESCCCc1c(-c2cccc(OC(F)F)c2)nn(C)c1N
InChIInChI=1S/C14H17F2N3O/c1-3-5-11-12(18-19(2)13(11)17)9-6-4-7-10(8-9)20-14(15)16/h4,6-8,14H,3,5,17H2,1-2H3
InChIKeyGFAQJRIHDABMEU-UHFFFAOYSA-N
XLogP3.22
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(4-methylphenyl)-4-propylpyrazol-5-amine
CID 79404540
3-(3-chloro-4-methylphenyl)-1-methyl-4-propylpyrazol-5-amine
CID 79405718
1-methyl-3-(5-methylthiophen-2-yl)-4-propylpyrazol-5-amine
CID 79406055
3-butyl-5-(3-propan-2-yloxyphenyl)imidazol-4-amine
CID 62017559
2-[3-(difluoromethoxy)phenyl]-3-ethoxy-6-[(3-methyl-1,2,4-triazol-1-yl)methyl]-5-propylpyrazine
CID 123257655
3-(5-ethylthiophen-2-yl)-1-methyl-4-propylpyrazol-5-amine
CID 79406046
4-(3-ethoxyphenyl)-2-propylimidazole-1,5-diamine
CID 62507421
3-(4-bromo-2-fluorophenyl)-1-methyl-4-propylpyrazol-5-amine
CID 79405825
5-[3-(difluoromethoxy)phenyl]-1,2-oxazol-3-amine
CID 66199211
3-(2-methoxy-3-pyridinyl)-1-methyl-4-propylpyrazol-5-amine
CID 79404426
3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-4-propylpyrazol-5-amine
CID 79405618
1-methyl-3-(4-methylthiophen-3-yl)-4-propylpyrazol-5-amine
CID 79803102

Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine?
The IUPAC name of 3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine (CID 79405300) is 3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine.
What is the SMILES notation for 3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine?
The canonical SMILES for 3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine is CCCc1c(-c2cccc(OC(F)F)c2)nn(C)c1N.
What is the InChIKey of 3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine?
The InChIKey is GFAQJRIHDABMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-3-5-11-12(18-19(2)13(11)17)9-6-4-7-10(8-9)20-14(15)16/h4,6-8,14H,3,5,17H2,1-2H3.
What are the key properties of 3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine?
3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine has a molecular weight of 281.31 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine is sourced from PubChem (CID 79405300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).