N-(1H-pyrazol-5-ylmethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine

C13H11F3N6 — CID 84598414

IUPACN-(1H-pyrazol-5-ylmethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
SMILESFC(F)(F)c1cccnc1-n1ccc(NCc2ccn[nH]2)n1
InChIInChI=1S/C13H11F3N6/c14-13(15,16)10-2-1-5-17-12(10)22-7-4-11(21-22)18-8-9-3-6-19-20-9/h1-7H,8H2,(H,18,21)(H,19,20)
InChIKeyNRNCBIZXCWMGAV-UHFFFAOYSA-N
MW308.27 g/mol
LogP2.62
Rot. Bonds4

About N-(1H-pyrazol-5-ylmethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine

N-(1H-pyrazol-5-ylmethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine (PubChem CID 84598414) has the molecular formula C13H11F3N6 and a molecular weight of 308.27 g/mol. Its IUPAC name is N-(1H-pyrazol-5-ylmethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-5-ylmethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
PubChem CID84598414
Molecular FormulaC13H11F3N6
Molecular Weight308.27 g/mol
Exact Mass308.10
IUPAC NameN-(1H-pyrazol-5-ylmethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
SMILESFC(F)(F)c1cccnc1-n1ccc(NCc2ccn[nH]2)n1
InChIInChI=1S/C13H11F3N6/c14-13(15,16)10-2-1-5-17-12(10)22-7-4-11(21-22)18-8-9-3-6-19-20-9/h1-7H,8H2,(H,18,21)(H,19,20)
InChIKeyNRNCBIZXCWMGAV-UHFFFAOYSA-N
XLogP2.62
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-ylmethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine?
The IUPAC name of N-(1H-pyrazol-5-ylmethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine (CID 84598414) is N-(1H-pyrazol-5-ylmethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine.
What is the SMILES notation for N-(1H-pyrazol-5-ylmethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine?
The canonical SMILES for N-(1H-pyrazol-5-ylmethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine is FC(F)(F)c1cccnc1-n1ccc(NCc2ccn[nH]2)n1.
What is the InChIKey of N-(1H-pyrazol-5-ylmethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine?
The InChIKey is NRNCBIZXCWMGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N6/c14-13(15,16)10-2-1-5-17-12(10)22-7-4-11(21-22)18-8-9-3-6-19-20-9/h1-7H,8H2,(H,18,21)(H,19,20).
What are the key properties of N-(1H-pyrazol-5-ylmethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine?
N-(1H-pyrazol-5-ylmethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine has a molecular weight of 308.27 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-ylmethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine is sourced from PubChem (CID 84598414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).