3-(4-chloro-3-fluorophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine

C14H17ClFN3 — CID 107988602

IUPAC3-(4-chloro-3-fluorophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
SMILESCC(C)Cc1c(-c2ccc(Cl)c(F)c2)nn(C)c1N
InChIInChI=1S/C14H17ClFN3/c1-8(2)6-10-13(18-19(3)14(10)17)9-4-5-11(15)12(16)7-9/h4-5,7-8H,6,17H2,1-3H3
InChIKeyZIZTUEUTCQNAAW-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.66
Rot. Bonds3

About 3-(4-chloro-3-fluorophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine

3-(4-chloro-3-fluorophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine (PubChem CID 107988602) has the molecular formula C14H17ClFN3 and a molecular weight of 281.76 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
PubChem CID107988602
Molecular FormulaC14H17ClFN3
Molecular Weight281.76 g/mol
Exact Mass281.11
IUPAC Name3-(4-chloro-3-fluorophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
SMILESCC(C)Cc1c(-c2ccc(Cl)c(F)c2)nn(C)c1N
InChIInChI=1S/C14H17ClFN3/c1-8(2)6-10-13(18-19(3)14(10)17)9-4-5-11(15)12(16)7-9/h4-5,7-8H,6,17H2,1-3H3
InChIKeyZIZTUEUTCQNAAW-UHFFFAOYSA-N
XLogP3.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-3-fluorophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 81453840
3-(3-chloro-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 81322868
3-(2-fluoro-4-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 102883361
5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine
CID 62018105
3-(3-bromo-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 104853079
3-(3-chloro-4-fluorophenyl)-1,4-dimethylpyrazol-5-amine
CID 82875760
1-methyl-4-(2-methylpropyl)-3-(1H-pyrazol-5-yl)pyrazol-5-amine
CID 63081015
3-(3-chloro-4-methylphenyl)-1-methyl-4-propylpyrazol-5-amine
CID 79405718
3-(2,5-dibromophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 114373232
3-(2-bromo-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 81110742
3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336366
2-tert-butyl-5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine
CID 63470005

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine (CID 107988602) is 3-(4-chloro-3-fluorophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine is CC(C)Cc1c(-c2ccc(Cl)c(F)c2)nn(C)c1N.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine?
The InChIKey is ZIZTUEUTCQNAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3/c1-8(2)6-10-13(18-19(3)14(10)17)9-4-5-11(15)12(16)7-9/h4-5,7-8H,6,17H2,1-3H3.
What are the key properties of 3-(4-chloro-3-fluorophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine?
3-(4-chloro-3-fluorophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine has a molecular weight of 281.76 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine is sourced from PubChem (CID 107988602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).