(1-propylpyrazol-4-yl)-(2,4,6-trifluorophenyl)methanamine

C13H14F3N3 — CID 115808100

IUPAC(1-propylpyrazol-4-yl)-(2,4,6-trifluorophenyl)methanamine
SMILESCCCn1cc(C(N)c2c(F)cc(F)cc2F)cn1
InChIInChI=1S/C13H14F3N3/c1-2-3-19-7-8(6-18-19)13(17)12-10(15)4-9(14)5-11(12)16/h4-7,13H,2-3,17H2,1H3
InChIKeyVJWHFGICMJQIHZ-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.76
Rot. Bonds4

About (1-propylpyrazol-4-yl)-(2,4,6-trifluorophenyl)methanamine

(1-propylpyrazol-4-yl)-(2,4,6-trifluorophenyl)methanamine (PubChem CID 115808100) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is (1-propylpyrazol-4-yl)-(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(1-propylpyrazol-4-yl)-(2,4,6-trifluorophenyl)methanamine
PubChem CID115808100
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name(1-propylpyrazol-4-yl)-(2,4,6-trifluorophenyl)methanamine
SMILESCCCn1cc(C(N)c2c(F)cc(F)cc2F)cn1
InChIInChI=1S/C13H14F3N3/c1-2-3-19-7-8(6-18-19)13(17)12-10(15)4-9(14)5-11(12)16/h4-7,13H,2-3,17H2,1H3
InChIKeyVJWHFGICMJQIHZ-UHFFFAOYSA-N
XLogP2.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2,6-difluorophenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115816422
(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methanamine
CID 115807774
(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115807748
(5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanamine
CID 115808279
[(1-propylpyrazol-4-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208089
4-[amino-(1-propylpyrazol-4-yl)methyl]-N,N-dimethylaniline
CID 105103926
(4-bromo-3-fluorophenyl)-(1-propylpyrazol-4-yl)methanol
CID 81436029
2-amino-2-(1-propylpyrazol-4-yl)acetamide
CID 103572056
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 115807994
(1-propylpyrazol-4-yl)-pyrimidin-4-ylmethanamine
CID 63988738
(2-methylfuran-3-yl)-(1-propylpyrazol-4-yl)methanamine
CID 104789813
4-butan-2-yl-1-propylpyrazole
CID 130194925

Frequently Asked Questions

What is the IUPAC name of (1-propylpyrazol-4-yl)-(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of (1-propylpyrazol-4-yl)-(2,4,6-trifluorophenyl)methanamine (CID 115808100) is (1-propylpyrazol-4-yl)-(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for (1-propylpyrazol-4-yl)-(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for (1-propylpyrazol-4-yl)-(2,4,6-trifluorophenyl)methanamine is CCCn1cc(C(N)c2c(F)cc(F)cc2F)cn1.
What is the InChIKey of (1-propylpyrazol-4-yl)-(2,4,6-trifluorophenyl)methanamine?
The InChIKey is VJWHFGICMJQIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-2-3-19-7-8(6-18-19)13(17)12-10(15)4-9(14)5-11(12)16/h4-7,13H,2-3,17H2,1H3.
What are the key properties of (1-propylpyrazol-4-yl)-(2,4,6-trifluorophenyl)methanamine?
(1-propylpyrazol-4-yl)-(2,4,6-trifluorophenyl)methanamine has a molecular weight of 269.27 g/mol, XLogP of 2.76, 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)-(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 115808100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).