1-methyl-5-(pyrazol-1-ylmethyl)-3-(trifluoromethyl)pyrazole

C9H9F3N4 — CID 91460533

IUPAC1-methyl-5-(pyrazol-1-ylmethyl)-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1Cn1cccn1
InChIInChI=1S/C9H9F3N4/c1-15-7(6-16-4-2-3-13-16)5-8(14-15)9(10,11)12/h2-5H,6H2,1H3
InChIKeyRLWDEYPMPYMBIH-UHFFFAOYSA-N
MW230.19 g/mol
LogP1.68
Rot. Bonds2

About 1-methyl-5-(pyrazol-1-ylmethyl)-3-(trifluoromethyl)pyrazole

1-methyl-5-(pyrazol-1-ylmethyl)-3-(trifluoromethyl)pyrazole (PubChem CID 91460533) has the molecular formula C9H9F3N4 and a molecular weight of 230.19 g/mol. Its IUPAC name is 1-methyl-5-(pyrazol-1-ylmethyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-5-(pyrazol-1-ylmethyl)-3-(trifluoromethyl)pyrazole
PubChem CID91460533
Molecular FormulaC9H9F3N4
Molecular Weight230.19 g/mol
Exact Mass230.08
IUPAC Name1-methyl-5-(pyrazol-1-ylmethyl)-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1Cn1cccn1
InChIInChI=1S/C9H9F3N4/c1-15-7(6-16-4-2-3-13-16)5-8(14-15)9(10,11)12/h2-5H,6H2,1H3
InChIKeyRLWDEYPMPYMBIH-UHFFFAOYSA-N
XLogP1.68
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(pyrazol-1-ylmethyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-methyl-5-(pyrazol-1-ylmethyl)-3-(trifluoromethyl)pyrazole (CID 91460533) is 1-methyl-5-(pyrazol-1-ylmethyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-methyl-5-(pyrazol-1-ylmethyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-methyl-5-(pyrazol-1-ylmethyl)-3-(trifluoromethyl)pyrazole is Cn1nc(C(F)(F)F)cc1Cn1cccn1.
What is the InChIKey of 1-methyl-5-(pyrazol-1-ylmethyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is RLWDEYPMPYMBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4/c1-15-7(6-16-4-2-3-13-16)5-8(14-15)9(10,11)12/h2-5H,6H2,1H3.
What are the key properties of 1-methyl-5-(pyrazol-1-ylmethyl)-3-(trifluoromethyl)pyrazole?
1-methyl-5-(pyrazol-1-ylmethyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 230.19 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(pyrazol-1-ylmethyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 91460533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).