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

C13H13ClF3N3 — CID 115068409

IUPAC3-[5-chloro-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]propan-1-amine
SMILESNCCCc1cnn(-c2cccc(C(F)(F)F)c2)c1Cl
InChIInChI=1S/C13H13ClF3N3/c14-12-9(3-2-6-18)8-19-20(12)11-5-1-4-10(7-11)13(15,16)17/h1,4-5,7-8H,2-3,6,18H2
InChIKeyFWDIKONVEGKBDY-UHFFFAOYSA-N
MW303.71 g/mol
LogP3.44
Rot. Bonds4

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

3-[5-chloro-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]propan-1-amine (PubChem CID 115068409) has the molecular formula C13H13ClF3N3 and a molecular weight of 303.71 g/mol. Its IUPAC name is 3-[5-chloro-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-chloro-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]propan-1-amine
PubChem CID115068409
Molecular FormulaC13H13ClF3N3
Molecular Weight303.71 g/mol
Exact Mass303.08
IUPAC Name3-[5-chloro-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]propan-1-amine
SMILESNCCCc1cnn(-c2cccc(C(F)(F)F)c2)c1Cl
InChIInChI=1S/C13H13ClF3N3/c14-12-9(3-2-6-18)8-19-20(12)11-5-1-4-10(7-11)13(15,16)17/h1,4-5,7-8H,2-3,6,18H2
InChIKeyFWDIKONVEGKBDY-UHFFFAOYSA-N
XLogP3.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 115069398
3-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine
CID 115068648
5-chloro-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
CID 123543112
[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 66437235
1-[3-(trifluoromethyl)phenyl]indazole
CID 21044942
[1-(3-bromophenyl)-5-chloropyrazol-4-yl]methanamine
CID 115052372
3-[5-bromo-1-(3-methylphenyl)pyrazol-4-yl]propan-1-amine
CID 115053250
3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine
CID 66832871
[5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 66437452
2-(4-chlorophenyl)-5-hydroxypyridazin-3-one;5-hydroxy-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 158971239
N-(2-aminoethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 119384459
4-chloro-5-imidazol-1-yl-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 58585332

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]propan-1-amine?
The IUPAC name of 3-[5-chloro-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]propan-1-amine (CID 115068409) is 3-[5-chloro-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[5-chloro-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[5-chloro-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]propan-1-amine is NCCCc1cnn(-c2cccc(C(F)(F)F)c2)c1Cl.
What is the InChIKey of 3-[5-chloro-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]propan-1-amine?
The InChIKey is FWDIKONVEGKBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3/c14-12-9(3-2-6-18)8-19-20(12)11-5-1-4-10(7-11)13(15,16)17/h1,4-5,7-8H,2-3,6,18H2.
What are the key properties of 3-[5-chloro-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]propan-1-amine?
3-[5-chloro-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]propan-1-amine has a molecular weight of 303.71 g/mol, XLogP of 3.44, 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-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 115068409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).