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

C15H21FN4 — CID 66019258

IUPAC5-N-[1-(3-fluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NC(C)c2cccc(F)c2)c1N
InChIInChI=1S/C15H21FN4/c1-4-6-13-14(17)15(20(3)19-13)18-10(2)11-7-5-8-12(16)9-11/h5,7-10,18H,4,6,17H2,1-3H3
InChIKeyDQTGLQKGCRPAPQ-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.27
Rot. Bonds5

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

5-N-[1-(3-fluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine (PubChem CID 66019258) has the molecular formula C15H21FN4 and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-N-[1-(3-fluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[1-(3-fluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine
PubChem CID66019258
Molecular FormulaC15H21FN4
Molecular Weight276.36 g/mol
Exact Mass276.18
IUPAC Name5-N-[1-(3-fluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NC(C)c2cccc(F)c2)c1N
InChIInChI=1S/C15H21FN4/c1-4-6-13-14(17)15(20(3)19-13)18-10(2)11-7-5-8-12(16)9-11/h5,7-10,18H,4,6,17H2,1-3H3
InChIKeyDQTGLQKGCRPAPQ-UHFFFAOYSA-N
XLogP3.27
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-N-(1-phenylethyl)-3-propylpyrazole-4,5-diamine
CID 66018634
1-methyl-5-N-[1-(5-methylthiophen-2-yl)ethyl]-3-propylpyrazole-4,5-diamine
CID 66019643
5-N-(4-fluorophenyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66018841
1-methyl-5-N-(5-methylhexan-2-yl)-3-propylpyrazole-4,5-diamine
CID 66018319
N-[1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrazol-3-amine
CID 113287971
5-N-(5-chloro-2-fluorophenyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66017683
3-ethyl-5-N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine
CID 66196027
5-N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66017741
(1S)-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365053
3-ethyl-1-methyl-5-N-(1-thiophen-2-ylethyl)pyrazole-4,5-diamine
CID 66015588
(1R)-1-(3-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 81352245
1-methyl-5-N-(1-phenylethyl)-3-propan-2-ylpyrazole-4,5-diamine
CID 66018949

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(3-fluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[1-(3-fluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine (CID 66019258) is 5-N-[1-(3-fluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[1-(3-fluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[1-(3-fluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(NC(C)c2cccc(F)c2)c1N.
What is the InChIKey of 5-N-[1-(3-fluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine?
The InChIKey is DQTGLQKGCRPAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4/c1-4-6-13-14(17)15(20(3)19-13)18-10(2)11-7-5-8-12(16)9-11/h5,7-10,18H,4,6,17H2,1-3H3.
What are the key properties of 5-N-[1-(3-fluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine?
5-N-[1-(3-fluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine has a molecular weight of 276.36 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(3-fluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66019258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).