3-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]propan-1-amine

C12H13ClFN3 — CID 115068487

IUPAC3-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]propan-1-amine
SMILESNCCCc1cnn(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C12H13ClFN3/c13-12-9(2-1-7-15)8-16-17(12)11-5-3-10(14)4-6-11/h3-6,8H,1-2,7,15H2
InChIKeyAZWIWGJFEJYHPG-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.56
Rot. Bonds4

About 3-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]propan-1-amine

3-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]propan-1-amine (PubChem CID 115068487) has the molecular formula C12H13ClFN3 and a molecular weight of 253.71 g/mol. Its IUPAC name is 3-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]propan-1-amine
PubChem CID115068487
Molecular FormulaC12H13ClFN3
Molecular Weight253.71 g/mol
Exact Mass253.08
IUPAC Name3-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]propan-1-amine
SMILESNCCCc1cnn(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C12H13ClFN3/c13-12-9(2-1-7-15)8-16-17(12)11-5-3-10(14)4-6-11/h3-6,8H,1-2,7,15H2
InChIKeyAZWIWGJFEJYHPG-UHFFFAOYSA-N
XLogP2.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]methanol
CID 115068469
3-[5-chloro-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]propan-1-amine
CID 115068409
2-[4-chloro-1-(4-fluorophenyl)pyrazol-5-yl]ethanamine
CID 83898604
2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]ethanol
CID 115069471
3-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine
CID 115068648
3-(5-chloro-1-cyclopropylpyrazol-4-yl)propan-1-amine
CID 115021879
2-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 82291486
3-[5-chloro-1-(2,2-dimethylpropyl)pyrazol-4-yl]propan-1-amine
CID 115068517
ethyl 5-chloro-1-(4-fluorophenyl)pyrazole-4-carboxylate
CID 22228090
3-[5-chloro-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 115068649
3-(2-chloro-4-fluorophenyl)propan-1-amine;hydrochloride
CID 75366828
4-(bromomethyl)-1-(4-fluorophenyl)-5-propylpyrazole
CID 66436383

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]propan-1-amine?
The IUPAC name of 3-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]propan-1-amine (CID 115068487) is 3-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]propan-1-amine is NCCCc1cnn(-c2ccc(F)cc2)c1Cl.
What is the InChIKey of 3-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]propan-1-amine?
The InChIKey is AZWIWGJFEJYHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3/c13-12-9(2-1-7-15)8-16-17(12)11-5-3-10(14)4-6-11/h3-6,8H,1-2,7,15H2.
What are the key properties of 3-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]propan-1-amine?
3-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]propan-1-amine has a molecular weight of 253.71 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 115068487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).