5-chloro-1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-fluorobenzene-1,2,4-triamine

C14H19ClFN5 — CID 103553524

IUPAC5-chloro-1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-fluorobenzene-1,2,4-triamine
SMILESCc1cc(C)n(CCCNc2c(N)cc(N)c(Cl)c2F)n1
InChIInChI=1S/C14H19ClFN5/c1-8-6-9(2)21(20-8)5-3-4-19-14-11(18)7-10(17)12(15)13(14)16/h6-7,19H,3-5,17-18H2,1-2H3
InChIKeyDSDVNJHMBLKKBU-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.96
Rot. Bonds5

About 5-chloro-1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-fluorobenzene-1,2,4-triamine

5-chloro-1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-fluorobenzene-1,2,4-triamine (PubChem CID 103553524) has the molecular formula C14H19ClFN5 and a molecular weight of 311.79 g/mol. Its IUPAC name is 5-chloro-1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-fluorobenzene-1,2,4-triamine.

Molecular Properties

Compound Name5-chloro-1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-fluorobenzene-1,2,4-triamine
PubChem CID103553524
Molecular FormulaC14H19ClFN5
Molecular Weight311.79 g/mol
Exact Mass311.13
IUPAC Name5-chloro-1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-fluorobenzene-1,2,4-triamine
SMILESCc1cc(C)n(CCCNc2c(N)cc(N)c(Cl)c2F)n1
InChIInChI=1S/C14H19ClFN5/c1-8-6-9(2)21(20-8)5-3-4-19-14-11(18)7-10(17)12(15)13(14)16/h6-7,19H,3-5,17-18H2,1-2H3
InChIKeyDSDVNJHMBLKKBU-UHFFFAOYSA-N
XLogP2.96
TPSA81.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-chloro-1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-fluorobenzene-1,2,4-triamine 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

2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpyridine-2,5-diamine
CID 114536202
3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,6-dimethylpyrazin-2-amine
CID 114539015
6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2,3,6-triamine
CID 114536169
5-chloro-1-N-[2-[ethyl(methyl)amino]ethyl]-6-fluorobenzene-1,2,4-triamine
CID 103553047
2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide
CID 114539587
2-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 86816276
3,5-dichloro-6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-N-methylpyridine-2,6-diamine
CID 102760138
2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylpyridine-2,5-diamine
CID 114536155
3-(3,5-dimethylpyrazol-1-yl)-N-[(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 115609211
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 114542225
N-[(2-chloro-4-fluorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 115574536
3-bromo-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-amine
CID 114836170

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-fluorobenzene-1,2,4-triamine?
The IUPAC name of 5-chloro-1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-fluorobenzene-1,2,4-triamine (CID 103553524) is 5-chloro-1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-fluorobenzene-1,2,4-triamine.
What is the SMILES notation for 5-chloro-1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-fluorobenzene-1,2,4-triamine?
The canonical SMILES for 5-chloro-1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-fluorobenzene-1,2,4-triamine is Cc1cc(C)n(CCCNc2c(N)cc(N)c(Cl)c2F)n1.
What is the InChIKey of 5-chloro-1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-fluorobenzene-1,2,4-triamine?
The InChIKey is DSDVNJHMBLKKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN5/c1-8-6-9(2)21(20-8)5-3-4-19-14-11(18)7-10(17)12(15)13(14)16/h6-7,19H,3-5,17-18H2,1-2H3.
What are the key properties of 5-chloro-1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-fluorobenzene-1,2,4-triamine?
5-chloro-1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-fluorobenzene-1,2,4-triamine has a molecular weight of 311.79 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-fluorobenzene-1,2,4-triamine is sourced from PubChem (CID 103553524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).