4-(2-chloro-4-fluorophenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine

C13H15ClFN3 — CID 63036715

IUPAC4-(2-chloro-4-fluorophenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1nn(C)c(N)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C13H15ClFN3/c1-7(2)12-11(13(16)18(3)17-12)9-5-4-8(15)6-10(9)14/h4-7H,16H2,1-3H3
InChIKeyMIDAOYHBRCZXAY-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.59
Rot. Bonds2

About 4-(2-chloro-4-fluorophenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine

4-(2-chloro-4-fluorophenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine (PubChem CID 63036715) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine
PubChem CID63036715
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name4-(2-chloro-4-fluorophenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1nn(C)c(N)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C13H15ClFN3/c1-7(2)12-11(13(16)18(3)17-12)9-5-4-8(15)6-10(9)14/h4-7H,16H2,1-3H3
InChIKeyMIDAOYHBRCZXAY-UHFFFAOYSA-N
XLogP3.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine (CID 63036715) is 4-(2-chloro-4-fluorophenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine is CC(C)c1nn(C)c(N)c1-c1ccc(F)cc1Cl.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine?
The InChIKey is MIDAOYHBRCZXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-7(2)12-11(13(16)18(3)17-12)9-5-4-8(15)6-10(9)14/h4-7H,16H2,1-3H3.
What are the key properties of 4-(2-chloro-4-fluorophenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine?
4-(2-chloro-4-fluorophenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine has a molecular weight of 267.74 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 63036715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).