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

C9H10F3N5 — CID 19626465

IUPAC1-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine
SMILESCn1ccc(NCc2cc(C(F)(F)F)n[nH]2)n1
InChIInChI=1S/C9H10F3N5/c1-17-3-2-8(16-17)13-5-6-4-7(15-14-6)9(10,11)12/h2-4H,5H2,1H3,(H,13,16)(H,14,15)
InChIKeyYXTNELLIXDFFAE-UHFFFAOYSA-N
MW245.21 g/mol
LogP1.77
Rot. Bonds3

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

1-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine (PubChem CID 19626465) has the molecular formula C9H10F3N5 and a molecular weight of 245.21 g/mol. Its IUPAC name is 1-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine
PubChem CID19626465
Molecular FormulaC9H10F3N5
Molecular Weight245.21 g/mol
Exact Mass245.09
IUPAC Name1-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine
SMILESCn1ccc(NCc2cc(C(F)(F)F)n[nH]2)n1
InChIInChI=1S/C9H10F3N5/c1-17-3-2-8(16-17)13-5-6-4-7(15-14-6)9(10,11)12/h2-4H,5H2,1H3,(H,13,16)(H,14,15)
InChIKeyYXTNELLIXDFFAE-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

1-methyl-N-[(3-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-3-amine
CID 60808842
N-[(4-bromo-1H-pyrazol-5-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine
CID 136572116
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
5-Methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazole
CID 174731521
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
N~1~-(1-Methyl-1H-pyrazol-3-YL)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]propanamide
CID 4772255
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 19516679
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 19518192
N-(1-methylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519255
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 19519543

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine?
The IUPAC name of 1-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine (CID 19626465) is 1-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine is Cn1ccc(NCc2cc(C(F)(F)F)n[nH]2)n1.
What is the InChIKey of 1-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine?
The InChIKey is YXTNELLIXDFFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5/c1-17-3-2-8(16-17)13-5-6-4-7(15-14-6)9(10,11)12/h2-4H,5H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 1-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine?
1-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 1-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine is sourced from PubChem (CID 19626465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).