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

C10H12F3N5 — CID 19625430

IUPACN-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
SMILESCn1cc(CNCc2cc(C(F)(F)F)n[nH]2)cn1
InChIInChI=1S/C10H12F3N5/c1-18-6-7(4-15-18)3-14-5-8-2-9(17-16-8)10(11,12)13/h2,4,6,14H,3,5H2,1H3,(H,16,17)
InChIKeyLUBVLKVUKRNRLQ-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.45
Rot. Bonds4

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

N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine (PubChem CID 19625430) has the molecular formula C10H12F3N5 and a molecular weight of 259.24 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
PubChem CID19625430
Molecular FormulaC10H12F3N5
Molecular Weight259.24 g/mol
Exact Mass259.10
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
SMILESCn1cc(CNCc2cc(C(F)(F)F)n[nH]2)cn1
InChIInChI=1S/C10H12F3N5/c1-18-6-7(4-15-18)3-14-5-8-2-9(17-16-8)10(11,12)13/h2,4,6,14H,3,5H2,1H3,(H,16,17)
InChIKeyLUBVLKVUKRNRLQ-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine (CID 19625430) is N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine is Cn1cc(CNCc2cc(C(F)(F)F)n[nH]2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine?
The InChIKey is LUBVLKVUKRNRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5/c1-18-6-7(4-15-18)3-14-5-8-2-9(17-16-8)10(11,12)13/h2,4,6,14H,3,5H2,1H3,(H,16,17).
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine?
N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine has a molecular weight of 259.24 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 19625430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).