5-N-[1-(2-fluorophenyl)ethyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine

C16H23FN4 — CID 66019281

IUPAC5-N-[1-(2-fluorophenyl)ethyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(N(C)C(C)c2ccccc2F)c1N
InChIInChI=1S/C16H23FN4/c1-5-8-14-15(18)16(21(4)19-14)20(3)11(2)12-9-6-7-10-13(12)17/h6-7,9-11H,5,8,18H2,1-4H3
InChIKeyXGRZKOLSQMNWBX-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.29
Rot. Bonds5

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

5-N-[1-(2-fluorophenyl)ethyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine (PubChem CID 66019281) has the molecular formula C16H23FN4 and a molecular weight of 290.39 g/mol. Its IUPAC name is 5-N-[1-(2-fluorophenyl)ethyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[1-(2-fluorophenyl)ethyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine
PubChem CID66019281
Molecular FormulaC16H23FN4
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC Name5-N-[1-(2-fluorophenyl)ethyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(N(C)C(C)c2ccccc2F)c1N
InChIInChI=1S/C16H23FN4/c1-5-8-14-15(18)16(21(4)19-14)20(3)11(2)12-9-6-7-10-13(12)17/h6-7,9-11H,5,8,18H2,1-4H3
InChIKeyXGRZKOLSQMNWBX-UHFFFAOYSA-N
XLogP3.29
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine
CID 66017108
5-N-[1-(2-chlorophenyl)ethyl]-3-ethyl-5-N,1-dimethylpyrazole-4,5-diamine
CID 66015031
5-N,1-dimethyl-5-N-pentan-2-yl-3-propylpyrazole-4,5-diamine
CID 66019626
5-(2-fluorophenyl)sulfanyl-1-methyl-3-propylpyrazol-4-amine
CID 66019510
5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propylpyrazole-4,5-diamine
CID 66019042
5-N-cyclopropyl-1-methyl-5-N-(2-methylpropyl)-3-propylpyrazole-4,5-diamine
CID 66018877
5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine
CID 66017913
4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylbenzene-1,4-diamine
CID 55209659
5-N,1-dimethyl-3-propyl-5-N-(pyridin-3-ylmethyl)pyrazole-4,5-diamine
CID 66018270
N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960864
5-(aminomethyl)-4-ethyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 62985824
5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66019266

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(2-fluorophenyl)ethyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[1-(2-fluorophenyl)ethyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine (CID 66019281) is 5-N-[1-(2-fluorophenyl)ethyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[1-(2-fluorophenyl)ethyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[1-(2-fluorophenyl)ethyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(N(C)C(C)c2ccccc2F)c1N.
What is the InChIKey of 5-N-[1-(2-fluorophenyl)ethyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine?
The InChIKey is XGRZKOLSQMNWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4/c1-5-8-14-15(18)16(21(4)19-14)20(3)11(2)12-9-6-7-10-13(12)17/h6-7,9-11H,5,8,18H2,1-4H3.
What are the key properties of 5-N-[1-(2-fluorophenyl)ethyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine?
5-N-[1-(2-fluorophenyl)ethyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine has a molecular weight of 290.39 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(2-fluorophenyl)ethyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66019281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).