2-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine

C9H10F3N5 — CID 19626467

IUPAC2-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine
SMILESCn1nccc1NCc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C9H10F3N5/c1-17-8(2-3-14-17)13-5-6-4-7(16-15-6)9(10,11)12/h2-4,13H,5H2,1H3,(H,15,16)
InChIKeyBWDGTDFWNREDRY-UHFFFAOYSA-N
MW245.21 g/mol
LogP1.77
Rot. Bonds3

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

2-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine (PubChem CID 19626467) has the molecular formula C9H10F3N5 and a molecular weight of 245.21 g/mol. Its IUPAC name is 2-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine
PubChem CID19626467
Molecular FormulaC9H10F3N5
Molecular Weight245.21 g/mol
Exact Mass245.09
IUPAC Name2-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine
SMILESCn1nccc1NCc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C9H10F3N5/c1-17-8(2-3-14-17)13-5-6-4-7(16-15-6)9(10,11)12/h2-4,13H,5H2,1H3,(H,15,16)
InChIKeyBWDGTDFWNREDRY-UHFFFAOYSA-N
XLogP1.77
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-1H-pyrazol-5-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine
CID 136572116
1-(3-Methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea
CID 138025248
1-(1H-pyrazol-5-yl)-3,5-bis(trifluoromethyl)pyrazole
CID 53631610
[1-(4-fluoro-5-methyl-1H-pyrazol-3-yl)pyrazol-3-yl]methanamine
CID 89147296
N-[(1S)-1-(4-fluoro-1,5-dimethylpyrazol-3-yl)ethyl]-1H-pyrazol-5-amine
CID 178682620
3,5-dimethyl-1-(1H-pyrazol-5-yl)pyrazole
CID 12560595
1-[[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl]-1H-pyrazol-3-amine
CID 19618522
1-(1-methylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine
CID 19625394
1-(1-ethylpyrazol-3-yl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]methanamine
CID 19625413
N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
CID 19625430
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
CID 19625447
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
CID 19625463

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine?
The IUPAC name of 2-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine (CID 19626467) is 2-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine.
What is the SMILES notation for 2-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine?
The canonical SMILES for 2-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine is Cn1nccc1NCc1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of 2-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine?
The InChIKey is BWDGTDFWNREDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5/c1-17-8(2-3-14-17)13-5-6-4-7(16-15-6)9(10,11)12/h2-4,13H,5H2,1H3,(H,15,16).
What are the key properties of 2-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine?
2-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine has a molecular weight of 245.21 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine is sourced from PubChem (CID 19626467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).