1-propyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine

C11H14F3N5 — CID 19626473

IUPAC1-propyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine
SMILESCCCn1ccc(NCc2cc(C(F)(F)F)n[nH]2)n1
InChIInChI=1S/C11H14F3N5/c1-2-4-19-5-3-10(18-19)15-7-8-6-9(17-16-8)11(12,13)14/h3,5-6H,2,4,7H2,1H3,(H,15,18)(H,16,17)
InChIKeyTYLDDLHMUVMSFL-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.65
Rot. Bonds5

About 1-propyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine

1-propyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine (PubChem CID 19626473) has the molecular formula C11H14F3N5 and a molecular weight of 273.26 g/mol. Its IUPAC name is 1-propyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-propyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine
PubChem CID19626473
Molecular FormulaC11H14F3N5
Molecular Weight273.26 g/mol
Exact Mass273.12
IUPAC Name1-propyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine
SMILESCCCn1ccc(NCc2cc(C(F)(F)F)n[nH]2)n1
InChIInChI=1S/C11H14F3N5/c1-2-4-19-5-3-10(18-19)15-7-8-6-9(17-16-8)11(12,13)14/h3,5-6H,2,4,7H2,1H3,(H,15,18)(H,16,17)
InChIKeyTYLDDLHMUVMSFL-UHFFFAOYSA-N
XLogP2.65
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine?
The IUPAC name of 1-propyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine (CID 19626473) is 1-propyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine.
What is the SMILES notation for 1-propyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine?
The canonical SMILES for 1-propyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine is CCCn1ccc(NCc2cc(C(F)(F)F)n[nH]2)n1.
What is the InChIKey of 1-propyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine?
The InChIKey is TYLDDLHMUVMSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5/c1-2-4-19-5-3-10(18-19)15-7-8-6-9(17-16-8)11(12,13)14/h3,5-6H,2,4,7H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 1-propyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine?
1-propyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine has a molecular weight of 273.26 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine is sourced from PubChem (CID 19626473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).