N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]cyclopropanamine

C12H12F3N5 — CID 66449579

IUPACN-[[6-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)c1cnn(-c2cncc(CNC3CC3)n2)c1
InChIInChI=1S/C12H12F3N5/c13-12(14,15)8-3-18-20(7-8)11-6-16-4-10(19-11)5-17-9-1-2-9/h3-4,6-7,9,17H,1-2,5H2
InChIKeyJEQCXLJNOGRSTC-UHFFFAOYSA-N
MW283.26 g/mol
LogP1.93
Rot. Bonds4

About N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]cyclopropanamine

N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]cyclopropanamine (PubChem CID 66449579) has the molecular formula C12H12F3N5 and a molecular weight of 283.26 g/mol. Its IUPAC name is N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]cyclopropanamine
PubChem CID66449579
Molecular FormulaC12H12F3N5
Molecular Weight283.26 g/mol
Exact Mass283.10
IUPAC NameN-[[6-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)c1cnn(-c2cncc(CNC3CC3)n2)c1
InChIInChI=1S/C12H12F3N5/c13-12(14,15)8-3-18-20(7-8)11-6-16-4-10(19-11)5-17-9-1-2-9/h3-4,6-7,9,17H,1-2,5H2
InChIKeyJEQCXLJNOGRSTC-UHFFFAOYSA-N
XLogP1.93
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]cyclopropanamine
CID 66449573
N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]cyclopropanamine
CID 81255203
N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyrazin-2-yl]methyl]cyclopropanamine
CID 115562086
N-[[3-chloro-4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]cyclopropanamine
CID 81145419
N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
CID 66449156
N-[[6-(2,3-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
CID 66457927
N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
CID 114460782
N-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine
CID 66457839
N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66467741
N-[[5-(4-iodopyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
CID 107381237
4-[(cyclopropylamino)methyl]-1-ethylimidazol-2-amine
CID 117191734
6-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 66451248

Frequently Asked Questions

What is the IUPAC name of N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]cyclopropanamine (CID 66449579) is N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]cyclopropanamine is FC(F)(F)c1cnn(-c2cncc(CNC3CC3)n2)c1.
What is the InChIKey of N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]cyclopropanamine?
The InChIKey is JEQCXLJNOGRSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5/c13-12(14,15)8-3-18-20(7-8)11-6-16-4-10(19-11)5-17-9-1-2-9/h3-4,6-7,9,17H,1-2,5H2.
What are the key properties of N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]cyclopropanamine?
N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]cyclopropanamine has a molecular weight of 283.26 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66449579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).