N-[(2-propan-2-ylpyrazol-3-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine

C13H18F3N5 — CID 122167059

IUPACN-[(2-propan-2-ylpyrazol-3-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine
SMILESCC(C)n1nccc1CNCc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C13H18F3N5/c1-10(2)21-12(3-5-18-21)8-17-7-11-4-6-20(19-11)9-13(14,15)16/h3-6,10,17H,7-9H2,1-2H3
InChIKeyFTMVYZCGHHHCRY-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.51
Rot. Bonds6

About N-[(2-propan-2-ylpyrazol-3-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine

N-[(2-propan-2-ylpyrazol-3-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine (PubChem CID 122167059) has the molecular formula C13H18F3N5 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-[(2-propan-2-ylpyrazol-3-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound NameN-[(2-propan-2-ylpyrazol-3-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine
PubChem CID122167059
Molecular FormulaC13H18F3N5
Molecular Weight301.32 g/mol
Exact Mass301.15
IUPAC NameN-[(2-propan-2-ylpyrazol-3-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine
SMILESCC(C)n1nccc1CNCc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C13H18F3N5/c1-10(2)21-12(3-5-18-21)8-17-7-11-4-6-20(19-11)9-13(14,15)16/h3-6,10,17H,7-9H2,1-2H3
InChIKeyFTMVYZCGHHHCRY-UHFFFAOYSA-N
XLogP2.51
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-propan-2-ylpyrazol-3-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine with MolForge

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Related Compounds

(1-Methyl-1H-pyrazol-5-yl)methanamine
CID 7019421
1-Ethyl-N-methyl-1H-pyrazole-5-methanamine
CID 672403
3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]pentan-1-amine
CID 19616726
1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine
CID 672402
(1-ethyl-1H-pyrazol-5-yl)methanamine
CID 1257624
1-Ethyl-1H-pyrazole-3-methanamine
CID 4715094
(1-Methylpyrazol-3-yl)methanamine
CID 7019419
methyl((1-methyl-1H-pyrazol-3-yl)methyl)amine
CID 7019424
1-Methyl-5-[(methylamino)methyl]pyrazole
CID 7019426
(1-propyl-1H-pyrazol-5-yl)methanamine
CID 19576790
1-(3-(trifluoromethyl)-1H-pyrazol-1-yl)propan-2-amine
CID 19616395
2-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]ethanamine
CID 19620741

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-ylpyrazol-3-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine?
The IUPAC name of N-[(2-propan-2-ylpyrazol-3-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine (CID 122167059) is N-[(2-propan-2-ylpyrazol-3-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for N-[(2-propan-2-ylpyrazol-3-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine?
The canonical SMILES for N-[(2-propan-2-ylpyrazol-3-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine is CC(C)n1nccc1CNCc1ccn(CC(F)(F)F)n1.
What is the InChIKey of N-[(2-propan-2-ylpyrazol-3-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine?
The InChIKey is FTMVYZCGHHHCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N5/c1-10(2)21-12(3-5-18-21)8-17-7-11-4-6-20(19-11)9-13(14,15)16/h3-6,10,17H,7-9H2,1-2H3.
What are the key properties of N-[(2-propan-2-ylpyrazol-3-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine?
N-[(2-propan-2-ylpyrazol-3-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine has a molecular weight of 301.32 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-ylpyrazol-3-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 122167059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).