5-N-[2-(3,5-difluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine

C15H20F2N4 — CID 66019278

IUPAC5-N-[2-(3,5-difluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NCCc2cc(F)cc(F)c2)c1N
InChIInChI=1S/C15H20F2N4/c1-3-4-13-14(18)15(21(2)20-13)19-6-5-10-7-11(16)9-12(17)8-10/h7-9,19H,3-6,18H2,1-2H3
InChIKeyPMKKGKUXKNFDKG-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.89
Rot. Bonds6

About 5-N-[2-(3,5-difluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine

5-N-[2-(3,5-difluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine (PubChem CID 66019278) has the molecular formula C15H20F2N4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-N-[2-(3,5-difluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[2-(3,5-difluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine
PubChem CID66019278
Molecular FormulaC15H20F2N4
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name5-N-[2-(3,5-difluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NCCc2cc(F)cc(F)c2)c1N
InChIInChI=1S/C15H20F2N4/c1-3-4-13-14(18)15(21(2)20-13)19-6-5-10-7-11(16)9-12(17)8-10/h7-9,19H,3-6,18H2,1-2H3
InChIKeyPMKKGKUXKNFDKG-UHFFFAOYSA-N
XLogP2.89
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-propyl-5-N-(5,5,5-trifluoropentyl)pyrazole-4,5-diamine
CID 115515604
5-N-(2,2-difluoroethyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 115405451
5-N-(3-methoxypropyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66019810
1-methyl-5-N-(4-methylpentyl)-3-propylpyrazole-4,5-diamine
CID 66019860
5-N-(4-fluorophenyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66018841
5-N-[2-(2-methoxyphenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine
CID 106259807
5-N-(2-butoxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66019463
5-N-(2-cyclohexyloxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66017735
3-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine
CID 66014362
5-N-(5-chloro-2-fluorophenyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66017683
3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pentan-3-ol
CID 66018131
5-N-[1-(3-fluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine
CID 66019258

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(3,5-difluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[2-(3,5-difluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine (CID 66019278) is 5-N-[2-(3,5-difluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[2-(3,5-difluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[2-(3,5-difluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(NCCc2cc(F)cc(F)c2)c1N.
What is the InChIKey of 5-N-[2-(3,5-difluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine?
The InChIKey is PMKKGKUXKNFDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N4/c1-3-4-13-14(18)15(21(2)20-13)19-6-5-10-7-11(16)9-12(17)8-10/h7-9,19H,3-6,18H2,1-2H3.
What are the key properties of 5-N-[2-(3,5-difluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine?
5-N-[2-(3,5-difluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine has a molecular weight of 294.35 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(3,5-difluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66019278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).