(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine

C14H16F3N3 — CID 115807748

IUPAC(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESCCCn1cc(C(N)c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C14H16F3N3/c1-2-7-20-9-11(8-19-20)13(18)10-3-5-12(6-4-10)14(15,16)17/h3-6,8-9,13H,2,7,18H2,1H3
InChIKeyWILZVUWHVXFNPP-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.36
Rot. Bonds4

About (1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine

(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 115807748) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is (1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID115807748
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESCCCn1cc(C(N)c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C14H16F3N3/c1-2-7-20-9-11(8-19-20)13(18)10-3-5-12(6-4-10)14(15,16)17/h3-6,8-9,13H,2,7,18H2,1H3
InChIKeyWILZVUWHVXFNPP-UHFFFAOYSA-N
XLogP3.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105288436
4-[amino-(1-propylpyrazol-4-yl)methyl]-N,N-dimethylaniline
CID 105103926
(1-propylpyrazol-4-yl)-(2,4,6-trifluorophenyl)methanamine
CID 115808100
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 115807994
(1-propylpyrazol-4-yl)-pyrimidin-4-ylmethanamine
CID 63988738
(5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanamine
CID 115808279
(2-methylfuran-3-yl)-(1-propylpyrazol-4-yl)methanamine
CID 104789813
(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methanamine
CID 115807774
(4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 105040696
(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 114022944
(1-propylpyrazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105103841
(3-bromo-2-pyridinyl)-(1-propylpyrazol-4-yl)methanamine
CID 113398477

Frequently Asked Questions

What is the IUPAC name of (1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine (CID 115807748) is (1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine is CCCn1cc(C(N)c2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of (1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is WILZVUWHVXFNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-2-7-20-9-11(8-19-20)13(18)10-3-5-12(6-4-10)14(15,16)17/h3-6,8-9,13H,2,7,18H2,1H3.
What are the key properties of (1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine?
(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 283.30 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 115807748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).