(2-propylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanamine

C13H14F3N3 — CID 115857397

IUPAC(2-propylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanamine
SMILESCCCn1nccc1C(N)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H14F3N3/c1-2-7-19-10(5-6-18-19)13(17)8-3-4-9(14)12(16)11(8)15/h3-6,13H,2,7,17H2,1H3
InChIKeyLVUHNBQLLLDNBM-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.76
Rot. Bonds4

About (2-propylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanamine

(2-propylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanamine (PubChem CID 115857397) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is (2-propylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(2-propylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanamine
PubChem CID115857397
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name(2-propylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanamine
SMILESCCCn1nccc1C(N)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H14F3N3/c1-2-7-19-10(5-6-18-19)13(17)8-3-4-9(14)12(16)11(8)15/h3-6,13H,2,7,17H2,1H3
InChIKeyLVUHNBQLLLDNBM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3-propyltriazol-4-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105038579
(2-chloro-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63977040
(3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63977003
(2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanamine
CID 106692049
(4-bromo-2,6-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857764
(2-ethylfuran-3-yl)-(2-propylpyrazol-3-yl)methanamine
CID 114104356
naphthalen-1-yl-(2-propylpyrazol-3-yl)methanamine
CID 63976392
(2,3-difluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63975691
(2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanamine
CID 107968266
(4-chloro-2-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63975297
(5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857762
(2-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 114024209

Frequently Asked Questions

What is the IUPAC name of (2-propylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of (2-propylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanamine (CID 115857397) is (2-propylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for (2-propylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for (2-propylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanamine is CCCn1nccc1C(N)c1ccc(F)c(F)c1F.
What is the InChIKey of (2-propylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is LVUHNBQLLLDNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-2-7-19-10(5-6-18-19)13(17)8-3-4-9(14)12(16)11(8)15/h3-6,13H,2,7,17H2,1H3.
What are the key properties of (2-propylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanamine?
(2-propylpyrazol-3-yl)-(2,3,4-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 (2-propylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 115857397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).