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

C12H16F3N5 — CID 19625492

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
SMILESCCn1cc(CNCc2cc(C(F)(F)F)n[nH]2)c(C)n1
InChIInChI=1S/C12H16F3N5/c1-3-20-7-9(8(2)19-20)5-16-6-10-4-11(18-17-10)12(13,14)15/h4,7,16H,3,5-6H2,1-2H3,(H,17,18)
InChIKeyCPZNWNGTIYTNFD-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.24
Rot. Bonds5

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

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine (PubChem CID 19625492) has the molecular formula C12H16F3N5 and a molecular weight of 287.29 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
PubChem CID19625492
Molecular FormulaC12H16F3N5
Molecular Weight287.29 g/mol
Exact Mass287.14
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
SMILESCCn1cc(CNCc2cc(C(F)(F)F)n[nH]2)c(C)n1
InChIInChI=1S/C12H16F3N5/c1-3-20-7-9(8(2)19-20)5-16-6-10-4-11(18-17-10)12(13,14)15/h4,7,16H,3,5-6H2,1-2H3,(H,17,18)
InChIKeyCPZNWNGTIYTNFD-UHFFFAOYSA-N
XLogP2.24
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 72043819
1-[3-(1-methylpyrazol-4-yl)propyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 72121352
[(3,5-dimethyl-1H-pyrazol-4-yl)methyl][(1-ethyl-3-methyl-1H-pyrazol-5-yl)methyl]methylamine trifluoroacetate
CID 28313087
(1S)-N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 28871074
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43749413
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]propan-1-amine
CID 52387528
3-pyrazol-1-yl-N-(1H-pyrazol-5-ylmethyl)butan-2-amine
CID 53557312
1-(2,2,2-trifluoroethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 84592806
1-[2-[(3S)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]pyrazole-4-carbonitrile
CID 96104191
(3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 97019118
(2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-3-pyrazol-1-ylpropan-1-amine
CID 97837440
(2S)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 100067084

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine (CID 19625492) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine is CCn1cc(CNCc2cc(C(F)(F)F)n[nH]2)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine?
The InChIKey is CPZNWNGTIYTNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5/c1-3-20-7-9(8(2)19-20)5-16-6-10-4-11(18-17-10)12(13,14)15/h4,7,16H,3,5-6H2,1-2H3,(H,17,18).
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine has a molecular weight of 287.29 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 19625492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).