5-(2,4-dichloro-5-fluorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine

C13H14Cl2FN3 — CID 63530614

IUPAC5-(2,4-dichloro-5-fluorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine
SMILESCC(C)CNc1cc(-c2cc(F)c(Cl)cc2Cl)[nH]n1
InChIInChI=1S/C13H14Cl2FN3/c1-7(2)6-17-13-5-12(18-19-13)8-3-11(16)10(15)4-9(8)14/h3-5,7H,6H2,1-2H3,(H2,17,18,19)
InChIKeyKILXJXWHTMJFLM-UHFFFAOYSA-N
MW302.18 g/mol
LogP4.59
Rot. Bonds4

About 5-(2,4-dichloro-5-fluorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine

5-(2,4-dichloro-5-fluorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine (PubChem CID 63530614) has the molecular formula C13H14Cl2FN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 5-(2,4-dichloro-5-fluorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,4-dichloro-5-fluorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine
PubChem CID63530614
Molecular FormulaC13H14Cl2FN3
Molecular Weight302.18 g/mol
Exact Mass301.05
IUPAC Name5-(2,4-dichloro-5-fluorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine
SMILESCC(C)CNc1cc(-c2cc(F)c(Cl)cc2Cl)[nH]n1
InChIInChI=1S/C13H14Cl2FN3/c1-7(2)6-17-13-5-12(18-19-13)8-3-11(16)10(15)4-9(8)14/h3-5,7H,6H2,1-2H3,(H2,17,18,19)
InChIKeyKILXJXWHTMJFLM-UHFFFAOYSA-N
XLogP4.59
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-(2,4-dichloro-5-fluorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine 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-(2,5-dimethylphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine
CID 63049705
N-(2-methylpropyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine
CID 63049372
4-[3-(2-methylpropylamino)-1H-pyrazol-5-yl]benzonitrile
CID 63049531
3-(2,4-dichloro-5-fluorophenyl)-1H-pyridazin-6-one
CID 60929393
1-[4-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 61338792
5-(2-chlorophenyl)-N-propyl-1H-pyrazol-3-amine
CID 63047967
N-(3-chloro-4-fluorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340312
N-(3-chloro-4-fluorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273040
5-(2,4-difluorophenyl)-N-propyl-1H-pyrazol-3-amine
CID 55145366
N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79484685
7-(2-methylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66284455
N-(3-chloro-4-fluorophenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111081

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichloro-5-fluorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,4-dichloro-5-fluorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine (CID 63530614) is 5-(2,4-dichloro-5-fluorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,4-dichloro-5-fluorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,4-dichloro-5-fluorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine is CC(C)CNc1cc(-c2cc(F)c(Cl)cc2Cl)[nH]n1.
What is the InChIKey of 5-(2,4-dichloro-5-fluorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine?
The InChIKey is KILXJXWHTMJFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2FN3/c1-7(2)6-17-13-5-12(18-19-13)8-3-11(16)10(15)4-9(8)14/h3-5,7H,6H2,1-2H3,(H2,17,18,19).
What are the key properties of 5-(2,4-dichloro-5-fluorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine?
5-(2,4-dichloro-5-fluorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine has a molecular weight of 302.18 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichloro-5-fluorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 63530614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).