N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazin-2-amine

C13H16F3N5 — CID 164639291

IUPACN-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazin-2-amine
SMILESCc1cc(C(F)(F)F)n(C[C@@H](C)CNc2cnccn2)n1
InChIInChI=1S/C13H16F3N5/c1-9(6-19-12-7-17-3-4-18-12)8-21-11(13(14,15)16)5-10(2)20-21/h3-5,7,9H,6,8H2,1-2H3,(H,18,19)/t9-/m0/s1
InChIKeyQHKUQZGQYLAFEK-VIFPVBQESA-N
MW299.30 g/mol
LogP2.75
Rot. Bonds5

About N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazin-2-amine

N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazin-2-amine (PubChem CID 164639291) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazin-2-amine
PubChem CID164639291
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC NameN-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazin-2-amine
SMILESCc1cc(C(F)(F)F)n(C[C@@H](C)CNc2cnccn2)n1
InChIInChI=1S/C13H16F3N5/c1-9(6-19-12-7-17-3-4-18-12)8-21-11(13(14,15)16)5-10(2)20-21/h3-5,7,9H,6,8H2,1-2H3,(H,18,19)/t9-/m0/s1
InChIKeyQHKUQZGQYLAFEK-VIFPVBQESA-N
XLogP2.75
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazin-2-amine?
The IUPAC name of N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazin-2-amine (CID 164639291) is N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazin-2-amine.
What is the SMILES notation for N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazin-2-amine?
The canonical SMILES for N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazin-2-amine is Cc1cc(C(F)(F)F)n(C[C@@H](C)CNc2cnccn2)n1.
What is the InChIKey of N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazin-2-amine?
The InChIKey is QHKUQZGQYLAFEK-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16F3N5/c1-9(6-19-12-7-17-3-4-18-12)8-21-11(13(14,15)16)5-10(2)20-21/h3-5,7,9H,6,8H2,1-2H3,(H,18,19)/t9-/m0/s1.
What are the key properties of N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazin-2-amine?
N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazin-2-amine has a molecular weight of 299.30 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazin-2-amine is sourced from PubChem (CID 164639291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).