1-methyl-3-propyl-5-N-(5,5,5-trifluoropentyl)pyrazole-4,5-diamine

C12H21F3N4 — CID 115515604

IUPAC1-methyl-3-propyl-5-N-(5,5,5-trifluoropentyl)pyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NCCCCC(F)(F)F)c1N
InChIInChI=1S/C12H21F3N4/c1-3-6-9-10(16)11(19(2)18-9)17-8-5-4-7-12(13,14)15/h17H,3-8,16H2,1-2H3
InChIKeyHHLPGCHNXPXDSP-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.10
Rot. Bonds7

About 1-methyl-3-propyl-5-N-(5,5,5-trifluoropentyl)pyrazole-4,5-diamine

1-methyl-3-propyl-5-N-(5,5,5-trifluoropentyl)pyrazole-4,5-diamine (PubChem CID 115515604) has the molecular formula C12H21F3N4 and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-methyl-3-propyl-5-N-(5,5,5-trifluoropentyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-3-propyl-5-N-(5,5,5-trifluoropentyl)pyrazole-4,5-diamine
PubChem CID115515604
Molecular FormulaC12H21F3N4
Molecular Weight278.32 g/mol
Exact Mass278.17
IUPAC Name1-methyl-3-propyl-5-N-(5,5,5-trifluoropentyl)pyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NCCCCC(F)(F)F)c1N
InChIInChI=1S/C12H21F3N4/c1-3-6-9-10(16)11(19(2)18-9)17-8-5-4-7-12(13,14)15/h17H,3-8,16H2,1-2H3
InChIKeyHHLPGCHNXPXDSP-UHFFFAOYSA-N
XLogP3.10
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-methyl-3-propyl-5-N-(5,5,5-trifluoropentyl)pyrazole-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
3-ethyl-1-methyl-5-N-pentylpyrazole-4,5-diamine
CID 66014562
5-N-(2-butoxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66019463
5-N-(2,2-difluoroethyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 115405451
5-N-[2-(3,5-difluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine
CID 66019278
3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pentan-3-ol
CID 66018131
2-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106251184
5-N-(2-cyclohexyloxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66017735
2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-methylpropanamide
CID 66019658
5-N-[2-(2-methoxyphenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine
CID 106259807
1-methyl-5-N-[2-(oxolan-2-yl)ethyl]-3-propylpyrazole-4,5-diamine
CID 66018882

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propyl-5-N-(5,5,5-trifluoropentyl)pyrazole-4,5-diamine?
The IUPAC name of 1-methyl-3-propyl-5-N-(5,5,5-trifluoropentyl)pyrazole-4,5-diamine (CID 115515604) is 1-methyl-3-propyl-5-N-(5,5,5-trifluoropentyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-3-propyl-5-N-(5,5,5-trifluoropentyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-3-propyl-5-N-(5,5,5-trifluoropentyl)pyrazole-4,5-diamine is CCCc1nn(C)c(NCCCCC(F)(F)F)c1N.
What is the InChIKey of 1-methyl-3-propyl-5-N-(5,5,5-trifluoropentyl)pyrazole-4,5-diamine?
The InChIKey is HHLPGCHNXPXDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4/c1-3-6-9-10(16)11(19(2)18-9)17-8-5-4-7-12(13,14)15/h17H,3-8,16H2,1-2H3.
What are the key properties of 1-methyl-3-propyl-5-N-(5,5,5-trifluoropentyl)pyrazole-4,5-diamine?
1-methyl-3-propyl-5-N-(5,5,5-trifluoropentyl)pyrazole-4,5-diamine has a molecular weight of 278.32 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propyl-5-N-(5,5,5-trifluoropentyl)pyrazole-4,5-diamine is sourced from PubChem (CID 115515604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).