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

C14H15ClF3N3 — CID 115068648

IUPAC3-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine
SMILESNCCCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C14H15ClF3N3/c15-13-11(2-1-7-19)8-20-21(13)9-10-3-5-12(6-4-10)14(16,17)18/h3-6,8H,1-2,7,9,19H2
InChIKeyPUMFWXUVKVZZFG-UHFFFAOYSA-N
MW317.74 g/mol
LogP3.49
Rot. Bonds5

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

3-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine (PubChem CID 115068648) has the molecular formula C14H15ClF3N3 and a molecular weight of 317.74 g/mol. Its IUPAC name is 3-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine
PubChem CID115068648
Molecular FormulaC14H15ClF3N3
Molecular Weight317.74 g/mol
Exact Mass317.09
IUPAC Name3-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine
SMILESNCCCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C14H15ClF3N3/c15-13-11(2-1-7-19)8-20-21(13)9-10-3-5-12(6-4-10)14(16,17)18/h3-6,8H,1-2,7,9,19H2
InChIKeyPUMFWXUVKVZZFG-UHFFFAOYSA-N
XLogP3.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol
CID 115068627
3-[5-chloro-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 115068649
2-[5-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine
CID 115069321
4-(3-aminopropyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine
CID 115069683
3-[5-chloro-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]propan-1-amine
CID 115068409
3-[5-chloro-1-(2,2-dimethylpropyl)pyrazol-4-yl]propan-1-amine
CID 115068517
3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62039586
3-[1-[(4-bromophenyl)methyl]-5-methylpyrazol-4-yl]propan-1-amine
CID 63276856
3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine
CID 66832871
3-(5-chloro-1-cyclopropylpyrazol-4-yl)propan-1-amine
CID 115021879
3-(1-benzyl-5-methoxypyrazol-4-yl)propan-1-amine
CID 115069221
1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 169223341

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine?
The IUPAC name of 3-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine (CID 115068648) is 3-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine is NCCCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1Cl.
What is the InChIKey of 3-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine?
The InChIKey is PUMFWXUVKVZZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N3/c15-13-11(2-1-7-19)8-20-21(13)9-10-3-5-12(6-4-10)14(16,17)18/h3-6,8H,1-2,7,9,19H2.
What are the key properties of 3-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine?
3-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine has a molecular weight of 317.74 g/mol, XLogP of 3.49, 5 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-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 115068648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).