1-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-4-amine

C10H12F3N5 — CID 19626471

IUPAC1-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-4-amine
SMILESCCn1cc(NCc2cc(C(F)(F)F)n[nH]2)cn1
InChIInChI=1S/C10H12F3N5/c1-2-18-6-8(5-15-18)14-4-7-3-9(17-16-7)10(11,12)13/h3,5-6,14H,2,4H2,1H3,(H,16,17)
InChIKeyVHMWPHOWNLFXJD-UHFFFAOYSA-N
MW259.24 g/mol
LogP2.26
Rot. Bonds4

About 1-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-4-amine

1-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-4-amine (PubChem CID 19626471) has the molecular formula C10H12F3N5 and a molecular weight of 259.24 g/mol. Its IUPAC name is 1-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-4-amine
PubChem CID19626471
Molecular FormulaC10H12F3N5
Molecular Weight259.24 g/mol
Exact Mass259.10
IUPAC Name1-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-4-amine
SMILESCCn1cc(NCc2cc(C(F)(F)F)n[nH]2)cn1
InChIInChI=1S/C10H12F3N5/c1-2-18-6-8(5-15-18)14-4-7-3-9(17-16-7)10(11,12)13/h3,5-6,14H,2,4H2,1H3,(H,16,17)
InChIKeyVHMWPHOWNLFXJD-UHFFFAOYSA-N
XLogP2.26
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-4-amine?
The IUPAC name of 1-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-4-amine (CID 19626471) is 1-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-4-amine is CCn1cc(NCc2cc(C(F)(F)F)n[nH]2)cn1.
What is the InChIKey of 1-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-4-amine?
The InChIKey is VHMWPHOWNLFXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5/c1-2-18-6-8(5-15-18)14-4-7-3-9(17-16-7)10(11,12)13/h3,5-6,14H,2,4H2,1H3,(H,16,17).
What are the key properties of 1-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-4-amine?
1-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-4-amine has a molecular weight of 259.24 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-4-amine is sourced from PubChem (CID 19626471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).